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

C18H29NO — CID 103501712

IUPAC1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
SMILESCCC(C(O)c1ccccc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29NO/c1-4-17(18(20)16-8-6-5-7-9-16)19-12-10-15(11-13-19)14(2)3/h5-9,14-15,17-18,20H,4,10-13H2,1-3H3
InChIKeyVGICUVWMDZKHID-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.87
Rot. Bonds5

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

1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol (PubChem CID 103501712) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
PubChem CID103501712
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
SMILESCCC(C(O)c1ccccc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29NO/c1-4-17(18(20)16-8-6-5-7-9-16)19-12-10-15(11-13-19)14(2)3/h5-9,14-15,17-18,20H,4,10-13H2,1-3H3
InChIKeyVGICUVWMDZKHID-UHFFFAOYSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-phenylbutan-1-ol
CID 63027144
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 112625605
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
CID 54602375
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol
CID 79174920
1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 43585198
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol (CID 103501712) is 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol is CCC(C(O)c1ccccc1)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol?
The InChIKey is VGICUVWMDZKHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-17(18(20)16-8-6-5-7-9-16)19-12-10-15(11-13-19)14(2)3/h5-9,14-15,17-18,20H,4,10-13H2,1-3H3.
What are the key properties of 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol?
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 103501712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).