N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine

C14H22N2O — CID 81370566

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCOc1ccc([C@H](C)NC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(16-13-4-3-9-15-10-13)12-5-7-14(17-2)8-6-12/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3/t11-,13?/m0/s1
InChIKeySXOBYCBNLHIWLB-AMGKYWFPSA-N
MW234.34 g/mol
LogP2.10
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine (PubChem CID 81370566) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
PubChem CID81370566
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCOc1ccc([C@H](C)NC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(16-13-4-3-9-15-10-13)12-5-7-14(17-2)8-6-12/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3/t11-,13?/m0/s1
InChIKeySXOBYCBNLHIWLB-AMGKYWFPSA-N
XLogP2.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine (CID 81370566) is N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine is COc1ccc([C@H](C)NC2CCCNC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine?
The InChIKey is SXOBYCBNLHIWLB-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(16-13-4-3-9-15-10-13)12-5-7-14(17-2)8-6-12/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 81370566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).