1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine

C20H27NO — CID 46231083

IUPAC1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
SMILESCOc1ccc2cc(C(C)CCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H27NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-9,14-16H,3-5,10-13H2,1-2H3
InChIKeyAPTONOMDAVOMLI-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.83
Rot. Bonds5

About 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine

1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine (PubChem CID 46231083) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine.

Molecular Properties

Compound Name1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
PubChem CID46231083
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
SMILESCOc1ccc2cc(C(C)CCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H27NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-9,14-16H,3-5,10-13H2,1-2H3
InChIKeyAPTONOMDAVOMLI-UHFFFAOYSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
3,5-dimethoxy-2-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]phenol
CID 16746303
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
CID 92967649
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
CID 54435579
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine?
The IUPAC name of 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine (CID 46231083) is 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine.
What is the SMILES notation for 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine?
The canonical SMILES for 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine is COc1ccc2cc(C(C)CCN3CCCCC3)ccc2c1.
What is the InChIKey of 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine?
The InChIKey is APTONOMDAVOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-16(10-13-21-11-4-3-5-12-21)17-6-7-19-15-20(22-2)9-8-18(19)14-17/h6-9,14-16H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine?
1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine has a molecular weight of 297.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine is sourced from PubChem (CID 46231083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).