1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol

C25H31NO2 — CID 3021337

IUPAC1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CCCOc2ccc(C3C=CCC3)cc2)CC1
InChIInChI=1S/C25H31NO2/c27-25(23-9-2-1-3-10-23)15-18-26(19-16-25)17-6-20-28-24-13-11-22(12-14-24)21-7-4-5-8-21/h1-4,7,9-14,21,27H,5-6,8,15-20H2
InChIKeyPDNYKRYUQFVIET-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.87
Rot. Bonds7

About 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol

1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol (PubChem CID 3021337) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol
PubChem CID3021337
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CCCOc2ccc(C3C=CCC3)cc2)CC1
InChIInChI=1S/C25H31NO2/c27-25(23-9-2-1-3-10-23)15-18-26(19-16-25)17-6-20-28-24-13-11-22(12-14-24)21-7-4-5-8-21/h1-4,7,9-14,21,27H,5-6,8,15-20H2
InChIKeyPDNYKRYUQFVIET-UHFFFAOYSA-N
XLogP4.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopent-2-en-1-yl-4-[3-(4-cyclopent-2-en-1-ylphenoxy)propoxy]benzene
CID 3064819
1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
CID 159080609
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398
(2R)-1-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-3-[4-[(2S)-3-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 6550525
(2S)-1-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-3-[4-[(2S)-3-[4-[(1R)-cyclopent-2-en-1-yl]phenoxy]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51621551
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol (CID 3021337) is 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(CCCOc2ccc(C3C=CCC3)cc2)CC1.
What is the InChIKey of 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol?
The InChIKey is PDNYKRYUQFVIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c27-25(23-9-2-1-3-10-23)15-18-26(19-16-25)17-6-20-28-24-13-11-22(12-14-24)21-7-4-5-8-21/h1-4,7,9-14,21,27H,5-6,8,15-20H2.
What are the key properties of 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol?
1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol has a molecular weight of 377.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 3021337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).