1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol

C17H27NO — CID 18713539

IUPAC1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
SMILESCC(C)N1CCC(CC(O)Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14(2)18-10-8-16(9-11-18)13-17(19)12-15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3
InChIKeyMCMJRQIDMQRDTJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.10
Rot. Bonds5

About 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol

1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol (PubChem CID 18713539) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
PubChem CID18713539
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
SMILESCC(C)N1CCC(CC(O)Cc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14(2)18-10-8-16(9-11-18)13-17(19)12-15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3
InChIKeyMCMJRQIDMQRDTJ-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The IUPAC name of 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol (CID 18713539) is 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol.
What is the SMILES notation for 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The canonical SMILES for 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol is CC(C)N1CCC(CC(O)Cc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
The InChIKey is MCMJRQIDMQRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)18-10-8-16(9-11-18)13-17(19)12-15-6-4-3-5-7-15/h3-7,14,16-17,19H,8-13H2,1-2H3.
What are the key properties of 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol?
1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)propan-2-ol is sourced from PubChem (CID 18713539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).