[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine

C14H22N2O — CID 42253835

IUPAC[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
SMILESCOc1ccc(CN2CCC[C@H](CN)C2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)10-16-8-2-3-13(9-15)11-16/h4-7,13H,2-3,8-11,15H2,1H3/t13-/m1/s1
InChIKeySBHNECOLJHKHAR-CYBMUJFWSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds4

About [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine

[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 42253835) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
PubChem CID42253835
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
SMILESCOc1ccc(CN2CCC[C@H](CN)C2)cc1
InChIInChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)10-16-8-2-3-13(9-15)11-16/h4-7,13H,2-3,8-11,15H2,1H3/t13-/m1/s1
InChIKeySBHNECOLJHKHAR-CYBMUJFWSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
[1-[(4-trimethylsilylphenyl)methyl]piperidin-3-yl]methanamine
CID 103438148
[(3S)-1-[(4-ethenylphenyl)methyl]piperidin-3-yl]methanamine
CID 129493697
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine (CID 42253835) is [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine is COc1ccc(CN2CCC[C@H](CN)C2)cc1.
What is the InChIKey of [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is SBHNECOLJHKHAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O/c1-17-14-6-4-12(5-7-14)10-16-8-2-3-13(9-15)11-16/h4-7,13H,2-3,8-11,15H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine?
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 42253835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).