[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

C21H33NO3 — CID 72863715

IUPAC[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccccc2OC2CCCC2)C1
InChIInChI=1S/C21H33NO3/c1-24-14-12-21(17-23)11-6-13-22(16-21)15-18-7-2-5-10-20(18)25-19-8-3-4-9-19/h2,5,7,10,19,23H,3-4,6,8-9,11-17H2,1H3
InChIKeyNMTFKWFZXAEEBL-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.62
Rot. Bonds8

About [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 72863715) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID72863715
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2ccccc2OC2CCCC2)C1
InChIInChI=1S/C21H33NO3/c1-24-14-12-21(17-23)11-6-13-22(16-21)15-18-7-2-5-10-20(18)25-19-8-3-4-9-19/h2,5,7,10,19,23H,3-4,6,8-9,11-17H2,1H3
InChIKeyNMTFKWFZXAEEBL-UHFFFAOYSA-N
XLogP3.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863231
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97125314
[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72874241
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
[(3S)-3-(cyclopropylmethyl)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 97123129
[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97116898
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26404101

Frequently Asked Questions

What is the IUPAC name of [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 72863715) is [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCCC1(CO)CCCN(Cc2ccccc2OC2CCCC2)C1.
What is the InChIKey of [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is NMTFKWFZXAEEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c1-24-14-12-21(17-23)11-6-13-22(16-21)15-18-7-2-5-10-20(18)25-19-8-3-4-9-19/h2,5,7,10,19,23H,3-4,6,8-9,11-17H2,1H3.
What are the key properties of [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 347.50 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72863715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).