2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol

C20H31NO — CID 15925767

IUPAC2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C20H31NO/c22-20-12-5-4-11-19(20)21-15-13-18(14-16-21)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18-20,22H,4-6,9-16H2
InChIKeyDXQDZAPFSJPOKB-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.02
Rot. Bonds5

About 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol

2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 15925767) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID15925767
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C20H31NO/c22-20-12-5-4-11-19(20)21-15-13-18(14-16-21)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18-20,22H,4-6,9-16H2
InChIKeyDXQDZAPFSJPOKB-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol (CID 15925767) is 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CCC(CCCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is DXQDZAPFSJPOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c22-20-12-5-4-11-19(20)21-15-13-18(14-16-21)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,18-20,22H,4-6,9-16H2.
What are the key properties of 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol?
2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 301.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).