(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol

C20H33NO2 — CID 7183676

IUPAC(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
SMILESCCCCOc1ccc([C@@](O)(CC)CCN2CCCCC2)cc1
InChIInChI=1S/C20H33NO2/c1-3-5-17-23-19-11-9-18(10-12-19)20(22,4-2)13-16-21-14-7-6-8-15-21/h9-12,22H,3-8,13-17H2,1-2H3/t20-/m1/s1
InChIKeyBOLQMUHEHABJJD-HXUWFJFHSA-N
MW319.49 g/mol
LogP4.34
Rot. Bonds9

About (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol

(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol (PubChem CID 7183676) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol.

Molecular Properties

Compound Name(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
PubChem CID7183676
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
SMILESCCCCOc1ccc([C@@](O)(CC)CCN2CCCCC2)cc1
InChIInChI=1S/C20H33NO2/c1-3-5-17-23-19-11-9-18(10-12-19)20(22,4-2)13-16-21-14-7-6-8-15-21/h9-12,22H,3-8,13-17H2,1-2H3/t20-/m1/s1
InChIKeyBOLQMUHEHABJJD-HXUWFJFHSA-N
XLogP4.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Venlafaxine, (R)-
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1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
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4-(3-{4-[(S)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
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4-(3-{4-[(R)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 49791890
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949667
1-{3-[4-(1-Hydroxy-1-propylbutyl)-phenoxy]propyl}piperidine
CID 11978735
1-[4-(3-Piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol
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4-[4-(3-Piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol?
The IUPAC name of (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol (CID 7183676) is (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol.
What is the SMILES notation for (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol?
The canonical SMILES for (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol is CCCCOc1ccc([C@@](O)(CC)CCN2CCCCC2)cc1.
What is the InChIKey of (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol?
The InChIKey is BOLQMUHEHABJJD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-5-17-23-19-11-9-18(10-12-19)20(22,4-2)13-16-21-14-7-6-8-15-21/h9-12,22H,3-8,13-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol?
(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol has a molecular weight of 319.49 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol is sourced from PubChem (CID 7183676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).