[3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol

C18H29NO2 — CID 72837786

IUPAC[3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(CCc2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-21-14-6-11-18(16-20)10-5-12-19(15-18)13-9-17-7-3-2-4-8-17/h2-4,7-8,20H,5-6,9-16H2,1H3
InChIKeyIWJNSUGYSXTJAH-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.73
Rot. Bonds8

About [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol

[3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 72837786) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID72837786
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name[3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(CCc2ccccc2)C1
InChIInChI=1S/C18H29NO2/c1-21-14-6-11-18(16-20)10-5-12-19(15-18)13-9-17-7-3-2-4-8-17/h2-4,7-8,20H,5-6,9-16H2,1H3
InChIKeyIWJNSUGYSXTJAH-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol (CID 72837786) is [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol is COCCCC1(CO)CCCN(CCc2ccccc2)C1.
What is the InChIKey of [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is IWJNSUGYSXTJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-21-14-6-11-18(16-20)10-5-12-19(15-18)13-9-17-7-3-2-4-8-17/h2-4,7-8,20H,5-6,9-16H2,1H3.
What are the key properties of [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol?
[3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 291.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropyl)-1-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72837786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).