2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol

C17H27NO2 — CID 102966104

IUPAC2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol
SMILESCOC1CCCN(C(C(C)C)C(O)c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-13(2)16(17(19)14-8-5-4-6-9-14)18-11-7-10-15(12-18)20-3/h4-6,8-9,13,15-17,19H,7,10-12H2,1-3H3
InChIKeyLVMMRZWUMARCKA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds5

About 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol

2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol (PubChem CID 102966104) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol
PubChem CID102966104
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol
SMILESCOC1CCCN(C(C(C)C)C(O)c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-13(2)16(17(19)14-8-5-4-6-9-14)18-11-7-10-15(12-18)20-3/h4-6,8-9,13,15-17,19H,7,10-12H2,1-3H3
InChIKeyLVMMRZWUMARCKA-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
CID 23249780
3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 102958108
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
CID 103530869
(1R)-1-[4-(3-methoxypiperidin-1-yl)phenyl]ethanol
CID 102960094
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
3-methoxy-1-phenylpiperidine
CID 70382121
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol (CID 102966104) is 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol is COC1CCCN(C(C(C)C)C(O)c2ccccc2)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol?
The InChIKey is LVMMRZWUMARCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)16(17(19)14-8-5-4-6-9-14)18-11-7-10-15(12-18)20-3/h4-6,8-9,13,15-17,19H,7,10-12H2,1-3H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol?
2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol is sourced from PubChem (CID 102966104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).