tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol

C101H129F10N13O14S — CID 160501916

About tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol

tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol (PubChem CID 160501916) has the molecular formula C101H129F10N13O14S and a molecular weight of 1971.27 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol.

Molecular Properties

• Compound Name: tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol
• PubChem CID: 160501916
• Molecular Formula: C101H129F10N13O14S
• Molecular Weight: 1971.27 g/mol
• Exact Mass: 1969.93
• IUPAC Name: tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol
• SMILES: CN(CCO)c1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4O)CC3)c2c1.CN(CCOCCF)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.COc1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1.O=S(=O)(OCCF)C(F)(F)F.OCCF.Oc1ccccc1C1CCNCC1
• InChI: InChI=1S/C29H35F3N4O2.C25H29FN4O2.C17H25NO3.C14H16FN3O2.C11H15NO.C3H4F4O3S.C2H5FO/c1-35(16-19-37-17-12-30)22-6-7-25-24(20-22)27(34-28(33-25)29(32)10-11-29)36-14-8-21(9-15-36)23-4-2-3-5-26(23)38-18-13-31;1-29(14-15-31)18-6-7-21-20(16-18)23(28-24(27-21)25(26)10-11-25)30-12-8-17(9-13-30)19-4-2-3-5-22(19)32;1-17(2,3)21-16(19)18-11-9-13(10-12-18)14-7-5-6-8-15(14)20-4;1-18(6-7-19)9-2-3-11-10(8-9)12(20)17-13(16-11)14(15)4-5-14;13-11-4-2-1-3-10(11)9-5-7-12-8-6-9;4-1-2-10-11(8,9)3(5,6)7;3-1-2-4/h2-7,20-21H,8-19H2,1H3;2-7,16-17,31-32H,8-15H2,1H3;5-8,13H,9-12H2,1-4H3;2-3,8,19H,4-7H2,1H3,(H,16,17,20);1-4,9,12-13H,5-8H2;1-2H2;4H,1-2H2
• InChIKey: QRWWURJHTAXIRD-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 327.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1971.27
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol?

The IUPAC name of tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol (CID 160501916) is tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol.

What is the SMILES notation for tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol?

The canonical SMILES for tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol is CN(CCO)c1ccc2nc(C3(F)CC3)[nH]c(=O)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4O)CC3)c2c1.CN(CCOCCF)c1ccc2nc(C3(F)CC3)nc(N3CCC(c4ccccc4OCCF)CC3)c2c1.COc1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1.O=S(=O)(OCCF)C(F)(F)F.OCCF.Oc1ccccc1C1CCNCC1.

What is the InChIKey of tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol?

The InChIKey is QRWWURJHTAXIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N4O2.C25H29FN4O2.C17H25NO3.C14H16FN3O2.C11H15NO.C3H4F4O3S.C2H5FO/c1-35(16-19-37-17-12-30)22-6-7-25-24(20-22)27(34-28(33-25)29(32)10-11-29)36-14-8-21(9-15-36)23-4-2-3-5-26(23)38-18-13-31;1-29(14-15-31)18-6-7-21-20(16-18)23(28-24(27-21)25(26)10-11-25)30-12-8-17(9-13-30)19-4-2-3-5-22(19)32;1-17(2,3)21-16(19)18-11-9-13(10-12-18)14-7-5-6-8-15(14)20-4;1-18(6-7-19)9-2-3-11-10(8-9)12(20)17-13(16-11)14(15)4-5-14;13-11-4-2-1-3-10(11)9-5-7-12-8-6-9;4-1-2-10-11(8,9)3(5,6)7;3-1-2-4/h2-7,20-21H,8-19H2,1H3;2-7,16-17,31-32H,8-15H2,1H3;5-8,13H,9-12H2,1-4H3;2-3,8,19H,4-7H2,1H3,(H,16,17,20);1-4,9,12-13H,5-8H2;1-2H2;4H,1-2H2.

What are the key properties of tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol?

tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol has a molecular weight of 1971.27 g/mol, XLogP of 17.60, 29 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(2-methoxyphenyl)piperidine-1-carboxylate;2-(1-fluorocyclopropyl)-N-[2-(2-fluoroethoxy)ethyl]-4-[4-[2-(2-fluoroethoxy)phenyl]piperidin-1-yl]-N-methylquinazolin-6-amine;2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]-3H-quinazolin-4-one;2-[1-[2-(1-fluorocyclopropyl)-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperidin-4-yl]phenol;2-fluoroethanol;2-fluoroethyl trifluoromethanesulfonate;2-piperidin-4-ylphenol is sourced from PubChem (CID 160501916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).