3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol

C18H29NO2 — CID 21436176

IUPAC3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol
SMILESCCC(O)(CC)C1CCCNC1Cc1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-4-18(20,5-2)16-7-6-12-19-17(16)13-14-8-10-15(21-3)11-9-14/h8-11,16-17,19-20H,4-7,12-13H2,1-3H3
InChIKeyMLIHGTYPSZERBA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.16
Rot. Bonds6

About 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol

3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol (PubChem CID 21436176) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol
PubChem CID21436176
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol
SMILESCCC(O)(CC)C1CCCNC1Cc1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-4-18(20,5-2)16-7-6-12-19-17(16)13-14-8-10-15(21-3)11-9-14/h8-11,16-17,19-20H,4-7,12-13H2,1-3H3
InChIKeyMLIHGTYPSZERBA-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol?
The IUPAC name of 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol (CID 21436176) is 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol.
What is the SMILES notation for 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol?
The canonical SMILES for 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol is CCC(O)(CC)C1CCCNC1Cc1ccc(OC)cc1.
What is the InChIKey of 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol?
The InChIKey is MLIHGTYPSZERBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-18(20,5-2)16-7-6-12-19-17(16)13-14-8-10-15(21-3)11-9-14/h8-11,16-17,19-20H,4-7,12-13H2,1-3H3.
What are the key properties of 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol?
3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol has a molecular weight of 291.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxyphenyl)methyl]piperidin-3-yl]pentan-3-ol is sourced from PubChem (CID 21436176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).