[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol

C16H25NO — CID 70364830

IUPAC[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
SMILESCCCCN1CC[C@@H](c2ccccc2)[C@H](CO)C1
InChIInChI=1S/C16H25NO/c1-2-3-10-17-11-9-16(15(12-17)13-18)14-7-5-4-6-8-14/h4-8,15-16,18H,2-3,9-13H2,1H3/t15-,16-/m0/s1
InChIKeyGEUOEMVQZLXTMN-HOTGVXAUSA-N
MW247.38 g/mol
LogP2.88
Rot. Bonds5

About [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol

[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol (PubChem CID 70364830) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
PubChem CID70364830
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
SMILESCCCCN1CC[C@@H](c2ccccc2)[C@H](CO)C1
InChIInChI=1S/C16H25NO/c1-2-3-10-17-11-9-16(15(12-17)13-18)14-7-5-4-6-8-14/h4-8,15-16,18H,2-3,9-13H2,1H3/t15-,16-/m0/s1
InChIKeyGEUOEMVQZLXTMN-HOTGVXAUSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol (CID 70364830) is [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol is CCCCN1CC[C@@H](c2ccccc2)[C@H](CO)C1.
What is the InChIKey of [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol?
The InChIKey is GEUOEMVQZLXTMN-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-10-17-11-9-16(15(12-17)13-18)14-7-5-4-6-8-14/h4-8,15-16,18H,2-3,9-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol?
[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 70364830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).