N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine

C21H29N3O — CID 97107115

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
SMILESCOc1ccc([C@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1
InChIInChI=1S/C21H29N3O/c1-16(18-4-6-21(25-3)7-5-18)23-20-10-14-24(15-11-20)17(2)19-8-12-22-13-9-19/h4-9,12-13,16-17,20,23H,10-11,14-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyKSXPNQOIEYQLMH-IRXDYDNUSA-N
MW339.48 g/mol
LogP3.97
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine (PubChem CID 97107115) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
PubChem CID97107115
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
SMILESCOc1ccc([C@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1
InChIInChI=1S/C21H29N3O/c1-16(18-4-6-21(25-3)7-5-18)23-20-10-14-24(15-11-20)17(2)19-8-12-22-13-9-19/h4-9,12-13,16-17,20,23H,10-11,14-15H2,1-3H3/t16-,17-/m0/s1
InChIKeyKSXPNQOIEYQLMH-IRXDYDNUSA-N
XLogP3.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
CID 136524982
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
CID 65072495
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine (CID 97107115) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine is COc1ccc([C@H](C)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine?
The InChIKey is KSXPNQOIEYQLMH-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(18-4-6-21(25-3)7-5-18)23-20-10-14-24(15-11-20)17(2)19-8-12-22-13-9-19/h4-9,12-13,16-17,20,23H,10-11,14-15H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine has a molecular weight of 339.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine is sourced from PubChem (CID 97107115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).