4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine

C118H173F3N16O4S — CID 158405889

About 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine

4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine (PubChem CID 158405889) has the molecular formula C118H173F3N16O4S and a molecular weight of 1968.85 g/mol. Its IUPAC name is 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine.

Molecular Properties

• Compound Name: 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine
• PubChem CID: 158405889
• Molecular Formula: C118H173F3N16O4S
• Molecular Weight: 1968.85 g/mol
• Exact Mass: 1967.35
• IUPAC Name: 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine
• SMILES: Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCCN(C)C)cc1.Cc1ccc(CCN2CCOCC2)cc1.Cc1ccc(CN2CCCC(F)C2)cc1.Cc1ccc(N2CCN(C)CC2)cn1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(N2CCNCC2)s1.Cc1ccc(OCCN2CCC(F)(F)CC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1.Cc1cccc(N2CCNCC2)c1
• InChI: InChI=1S/C14H19F2NO.C13H18FN.C13H19NO2.C13H19NO.C12H17N.C12H19N.C11H17N3.C11H16N2.C10H15N3.C9H14N2S/c1-12-2-4-13(5-3-12)18-11-10-17-8-6-14(15,16)7-9-17;1-11-4-6-12(7-5-11)9-15-8-2-3-13(14)10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-10-3-4-11(9-12-10)14-7-5-13(2)6-8-14;1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-8-2-3-9(12-8)11-6-4-10-5-7-11/h2-5H,6-11H2,1H3;4-7,13H,2-3,8-10H2,1H3;2-5H,6-11H2,1H3;2-5H,6-11H2,1H3;2-5,12-13H,6-9H2,1H3;6-9H,4-5,10H2,1-3H3;3-4,9H,5-8H2,1-2H3;2-4,9,12H,5-8H2,1H3;2-3,8,11H,4-7H2,1H3;2-3,10H,4-7H2,1H3
• InChIKey: GYROLWXBRCDGAQ-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 143.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1968.85
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine?

The IUPAC name of 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine (CID 158405889) is 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine.

What is the SMILES notation for 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine?

The canonical SMILES for 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine is Cc1ccc(C2CCNCC2)cc1.Cc1ccc(CCCN(C)C)cc1.Cc1ccc(CCN2CCOCC2)cc1.Cc1ccc(CN2CCCC(F)C2)cc1.Cc1ccc(N2CCN(C)CC2)cn1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(N2CCNCC2)s1.Cc1ccc(OCCN2CCC(F)(F)CC2)cc1.Cc1ccc(OCCN2CCOCC2)cc1.Cc1cccc(N2CCNCC2)c1.

What is the InChIKey of 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine?

The InChIKey is GYROLWXBRCDGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO.C13H18FN.C13H19NO2.C13H19NO.C12H17N.C12H19N.C11H17N3.C11H16N2.C10H15N3.C9H14N2S/c1-12-2-4-13(5-3-12)18-11-10-17-8-6-14(15,16)7-9-17;1-11-4-6-12(7-5-11)9-15-8-2-3-13(14)10-15;1-12-2-4-13(5-3-12)16-11-8-14-6-9-15-10-7-14;1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-11-6-8-12(9-7-11)5-4-10-13(2)3;1-10-3-4-11(9-12-10)14-7-5-13(2)6-8-14;1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-8-2-3-9(12-8)11-6-4-10-5-7-11/h2-5H,6-11H2,1H3;4-7,13H,2-3,8-10H2,1H3;2-5H,6-11H2,1H3;2-5H,6-11H2,1H3;2-5,12-13H,6-9H2,1H3;6-9H,4-5,10H2,1-3H3;3-4,9H,5-8H2,1-2H3;2-4,9,12H,5-8H2,1H3;2-3,8,11H,4-7H2,1H3;2-3,10H,4-7H2,1H3.

What are the key properties of 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine?

4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine has a molecular weight of 1968.85 g/mol, XLogP of 19.37, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluoro-1-[2-(4-methylphenoxy)ethyl]piperidine;N,N-dimethyl-3-(4-methylphenyl)propan-1-amine;3-fluoro-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;4-[2-(4-methylphenoxy)ethyl]morpholine;4-[2-(4-methylphenyl)ethyl]morpholine;1-(3-methylphenyl)piperazine;4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methylthiophen-2-yl)piperazine is sourced from PubChem (CID 158405889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).