tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride

C65H113Cl2F4N13O12S4 — CID 157327349

About tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride

tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride (PubChem CID 157327349) has the molecular formula C65H113Cl2F4N13O12S4 and a molecular weight of 1543.86 g/mol. Its IUPAC name is tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
• PubChem CID: 157327349
• Molecular Formula: C65H113Cl2F4N13O12S4
• Molecular Weight: 1543.86 g/mol
• Exact Mass: 1541.68
• IUPAC Name: tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
• SMILES: CC(N)C1CCCN(C(=O)OC(C)(C)C)C1.CC(NS(C)(=O)=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(NS(C)(=O)=O)C1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CC(NS(C)(=O)=O)C1CCCNC1.CCN(CC)CC.CS(C)(=O)=O.Cl.Fc1cc2ncnc(Cl)c2cc1F
• InChI: InChI=1S/C16H20F2N4O2S.C13H26N2O4S.C12H24N2O2.C8H3ClF2N2.C8H18N2O2S.C6H15N.C2H6O2S.ClH/c1-10(21-25(2,23)24)11-4-3-5-22(8-11)16-12-6-13(17)14(18)7-15(12)19-9-20-16;1-10(14-20(5,17)18)11-7-6-8-15(9-11)12(16)19-13(2,3)4;1-9(13)10-6-5-7-14(8-10)11(15)16-12(2,3)4;9-8-4-1-5(10)6(11)2-7(4)12-3-13-8;1-7(10-13(2,11)12)8-4-3-5-9-6-8;1-4-7(5-2)6-3;1-5(2,3)4;/h6-7,9-11,21H,3-5,8H2,1-2H3;10-11,14H,6-9H2,1-5H3;9-10H,5-8,13H2,1-4H3;1-3H;7-10H,3-6H2,1-2H3;4-6H2,1-3H3;1-2H3;1H
• InChIKey: ZGKXYNVKYCLCSM-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 327.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.86
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?

The IUPAC name of tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride (CID 157327349) is tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride.

What is the SMILES notation for tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?

The canonical SMILES for tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride is CC(N)C1CCCN(C(=O)OC(C)(C)C)C1.CC(NS(C)(=O)=O)C1CCCN(C(=O)OC(C)(C)C)C1.CC(NS(C)(=O)=O)C1CCCN(c2ncnc3cc(F)c(F)cc23)C1.CC(NS(C)(=O)=O)C1CCCNC1.CCN(CC)CC.CS(C)(=O)=O.Cl.Fc1cc2ncnc(Cl)c2cc1F.

What is the InChIKey of tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?

The InChIKey is ZGKXYNVKYCLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S.C13H26N2O4S.C12H24N2O2.C8H3ClF2N2.C8H18N2O2S.C6H15N.C2H6O2S.ClH/c1-10(21-25(2,23)24)11-4-3-5-22(8-11)16-12-6-13(17)14(18)7-15(12)19-9-20-16;1-10(14-20(5,17)18)11-7-6-8-15(9-11)12(16)19-13(2,3)4;1-9(13)10-6-5-7-14(8-10)11(15)16-12(2,3)4;9-8-4-1-5(10)6(11)2-7(4)12-3-13-8;1-7(10-13(2,11)12)8-4-3-5-9-6-8;1-4-7(5-2)6-3;1-5(2,3)4;/h6-7,9-11,21H,3-5,8H2,1-2H3;10-11,14H,6-9H2,1-5H3;9-10H,5-8,13H2,1-4H3;1-3H;7-10H,3-6H2,1-2H3;4-6H2,1-3H3;1-2H3;1H.

What are the key properties of tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?

tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride has a molecular weight of 1543.86 g/mol, XLogP of 9.53, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(1-aminoethyl)piperidine-1-carboxylate;tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate;4-chloro-6,7-difluoroquinazoline;N,N-diethylethanamine;N-[1-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]ethyl]methanesulfonamide;methylsulfonylmethane;N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 157327349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).