4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride

C23H26ClNO — CID 17039511

IUPAC4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride
SMILESCOc1cccc(-c2ccc3ccccc3c2)c1CC1CCNCC1.Cl
InChIInChI=1S/C23H25NO.ClH/c1-25-23-8-4-7-21(22(23)15-17-11-13-24-14-12-17)20-10-9-18-5-2-3-6-19(18)16-20;/h2-10,16-17,24H,11-15H2,1H3;1H
InChIKeyIKEWRICOQVQORO-UHFFFAOYSA-N
MW367.92 g/mol
LogP5.48
Rot. Bonds4

About 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride

4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride (PubChem CID 17039511) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride
PubChem CID17039511
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride
SMILESCOc1cccc(-c2ccc3ccccc3c2)c1CC1CCNCC1.Cl
InChIInChI=1S/C23H25NO.ClH/c1-25-23-8-4-7-21(22(23)15-17-11-13-24-14-12-17)20-10-9-18-5-2-3-6-19(18)16-20;/h2-10,16-17,24H,11-15H2,1H3;1H
InChIKeyIKEWRICOQVQORO-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine
CID 17039512
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
2-(cyclopropylmethyl)-1,3-dimethoxybenzene
CID 123548705
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
2-[2-(cyclopentylmethoxy)phenyl]naphthalene
CID 91262762
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride (CID 17039511) is 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride is COc1cccc(-c2ccc3ccccc3c2)c1CC1CCNCC1.Cl.
What is the InChIKey of 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride?
The InChIKey is IKEWRICOQVQORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO.ClH/c1-25-23-8-4-7-21(22(23)15-17-11-13-24-14-12-17)20-10-9-18-5-2-3-6-19(18)16-20;/h2-10,16-17,24H,11-15H2,1H3;1H.
What are the key properties of 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride?
4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 17039511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).