2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

C18H25ClN2 — CID 120728409

IUPAC2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H24N2.ClH/c19-10-9-15-4-3-11-20(13-15)14-16-7-8-17-5-1-2-6-18(17)12-16;/h1-2,5-8,12,15H,3-4,9-11,13-14,19H2;1H
InChIKeyODDHBGLTTQTXGJ-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.82
Rot. Bonds4

About 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728409) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728409
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC Name2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H24N2.ClH/c19-10-9-15-4-3-11-20(13-15)14-16-7-8-17-5-1-2-6-18(17)12-16;/h1-2,5-8,12,15H,3-4,9-11,13-14,19H2;1H
InChIKeyODDHBGLTTQTXGJ-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723

Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (CID 120728409) is 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is ODDHBGLTTQTXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2.ClH/c19-10-9-15-4-3-11-20(13-15)14-16-7-8-17-5-1-2-6-18(17)12-16;/h1-2,5-8,12,15H,3-4,9-11,13-14,19H2;1H.
What are the key properties of 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).