4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol

C18H29NO2 — CID 155075765

IUPAC4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol
SMILESCC(C)(OC(O)CCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C18H29NO2/c1-18(2,16-11-13-19-14-12-16)21-17(20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16-17,19-20H,6,9-14H2,1-2H3
InChIKeyXUPOXVRCRUEFAT-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.12
Rot. Bonds7

About 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol

4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol (PubChem CID 155075765) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol
PubChem CID155075765
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol
SMILESCC(C)(OC(O)CCCc1ccccc1)C1CCNCC1
InChIInChI=1S/C18H29NO2/c1-18(2,16-11-13-19-14-12-16)21-17(20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16-17,19-20H,6,9-14H2,1-2H3
InChIKeyXUPOXVRCRUEFAT-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-4-ylpropan-2-yl 5-phenylpentanoate
CID 155076614
1-(4-tert-butylcyclohexyl)-4-phenylbutan-1-ol
CID 65401121
tert-butyl N-(1-acetylpiperidin-4-yl)-N-(3-phenylpropyl)carbamate;tert-butyl N-(3-phenylpropyl)-N-piperidin-4-ylcarbamate
CID 159612992
2-piperidin-4-ylpropan-2-yl 4-(4-bromophenyl)butanoate
CID 155605361
2-phenyl-1-piperidin-4-yloxyethanol
CID 70594115
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
CID 155075940
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
2-methoxy-2-methyl-6-phenylhexan-3-ol
CID 79197404
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
2-cyclopropyl-2-methyl-5-phenylpentan-1-ol
CID 83150041
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol?
The IUPAC name of 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol (CID 155075765) is 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol.
What is the SMILES notation for 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol?
The canonical SMILES for 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol is CC(C)(OC(O)CCCc1ccccc1)C1CCNCC1.
What is the InChIKey of 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol?
The InChIKey is XUPOXVRCRUEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,16-11-13-19-14-12-16)21-17(20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16-17,19-20H,6,9-14H2,1-2H3.
What are the key properties of 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol?
4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-piperidin-4-ylpropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 155075765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).