N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine

C14H22N2O — CID 80553020

IUPACN-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)9-16-11-13-3-2-8-15-10-13/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyYFCIRBFEBOEXDY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.78
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine

N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine (PubChem CID 80553020) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
PubChem CID80553020
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)9-16-11-13-3-2-8-15-10-13/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyYFCIRBFEBOEXDY-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209649
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
1-piperidin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 83962741
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
4-[(piperidin-3-ylmethylamino)methyl]benzenesulfonamide
CID 80553043
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine (CID 80553020) is N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine is COc1ccc(CNCC2CCCNC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
The InChIKey is YFCIRBFEBOEXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)9-16-11-13-3-2-8-15-10-13/h4-7,13,15-16H,2-3,8-11H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine?
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 80553020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).