1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol

C16H25NO — CID 114338177

IUPAC1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1C(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(18)12-16-10-6-7-11-17(16)14(2)15-8-4-3-5-9-15/h3-5,8-9,13-14,16,18H,6-7,10-12H2,1-2H3
InChIKeyZJKIAFIATWANJA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.37
Rot. Bonds4

About 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol

1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol (PubChem CID 114338177) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
PubChem CID114338177
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1C(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(18)12-16-10-6-7-11-17(16)14(2)15-8-4-3-5-9-15/h3-5,8-9,13-14,16,18H,6-7,10-12H2,1-2H3
InChIKeyZJKIAFIATWANJA-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
2-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111613124
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 123993971
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-ol
CID 83062205
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490235

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol (CID 114338177) is 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1C(C)c1ccccc1.
What is the InChIKey of 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol?
The InChIKey is ZJKIAFIATWANJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(18)12-16-10-6-7-11-17(16)14(2)15-8-4-3-5-9-15/h3-5,8-9,13-14,16,18H,6-7,10-12H2,1-2H3.
What are the key properties of 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol?
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).