1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride

C19H25ClN2O — CID 119910073

IUPAC1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H24N2O.ClH/c20-18-9-5-11-21(14-18)13-17-8-4-10-19(12-17)22-15-16-6-2-1-3-7-16;/h1-4,6-8,10,12,18H,5,9,11,13-15,20H2;1H
InChIKeyCCGZHSUUMHNTFG-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.61
Rot. Bonds5

About 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride

1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 119910073) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
PubChem CID119910073
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H24N2O.ClH/c20-18-9-5-11-21(14-18)13-17-8-4-10-19(12-17)22-15-16-6-2-1-3-7-16;/h1-4,6-8,10,12,18H,5,9,11,13-15,20H2;1H
InChIKeyCCGZHSUUMHNTFG-UHFFFAOYSA-N
XLogP3.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 74248786
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 39308220
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride (CID 119910073) is 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride is Cl.NC1CCCN(Cc2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is CCGZHSUUMHNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c20-18-9-5-11-21(14-18)13-17-8-4-10-19(12-17)22-15-16-6-2-1-3-7-16;/h1-4,6-8,10,12,18H,5,9,11,13-15,20H2;1H.
What are the key properties of 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride?
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119910073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).