(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine

C15H24N2O — CID 106634175

IUPAC(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCOc1ccc([C@H](C)NCC2CCCCN2)cc1
InChIInChI=1S/C15H24N2O/c1-12(13-6-8-15(18-2)9-7-13)17-11-14-5-3-4-10-16-14/h6-9,12,14,16-17H,3-5,10-11H2,1-2H3/t12-,14?/m0/s1
InChIKeyFFWREHKODFHFLA-NBFOIZRFSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds5

About (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine

(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106634175) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106634175
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCOc1ccc([C@H](C)NCC2CCCCN2)cc1
InChIInChI=1S/C15H24N2O/c1-12(13-6-8-15(18-2)9-7-13)17-11-14-5-3-4-10-16-14/h6-9,12,14,16-17H,3-5,10-11H2,1-2H3/t12-,14?/m0/s1
InChIKeyFFWREHKODFHFLA-NBFOIZRFSA-N
XLogP2.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine (CID 106634175) is (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine is COc1ccc([C@H](C)NCC2CCCCN2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is FFWREHKODFHFLA-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(13-6-8-15(18-2)9-7-13)17-11-14-5-3-4-10-16-14/h6-9,12,14,16-17H,3-5,10-11H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106634175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).