[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride

C17H21ClN2O — CID 119465103

IUPAC[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O.ClH/c18-11-13-4-3-9-19(12-13)17(20)16-8-7-14-5-1-2-6-15(14)10-16;/h1-2,5-8,10,13H,3-4,9,11-12,18H2;1H
InChIKeyYARDHRSUKXEZSL-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.07
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride (PubChem CID 119465103) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
PubChem CID119465103
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O.ClH/c18-11-13-4-3-9-19(12-13)17(20)16-8-7-14-5-1-2-6-15(14)10-16;/h1-2,5-8,10,13H,3-4,9,11-12,18H2;1H
InChIKeyYARDHRSUKXEZSL-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[3-(aminomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone;hydrochloride
CID 119464798
[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 96574025
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride (CID 119465103) is [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride is Cl.NCC1CCCN(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
The InChIKey is YARDHRSUKXEZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c18-11-13-4-3-9-19(12-13)17(20)16-8-7-14-5-1-2-6-15(14)10-16;/h1-2,5-8,10,13H,3-4,9,11-12,18H2;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119465103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).