3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol

C20H25N3O2 — CID 136585231

IUPAC3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol
SMILESOC1(c2ccccn2)CCNCC1N1CC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c24-20(18-8-4-5-11-22-18)10-12-21-14-19(20)23-13-9-17(15-23)25-16-6-2-1-3-7-16/h1-8,11,17,19,21,24H,9-10,12-15H2/t17-,19?,20?/m0/s1
InChIKeyKVJHQSBNTAFGHA-KKXNLOMOSA-N
MW339.44 g/mol
LogP1.78
Rot. Bonds4

About 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol

3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol (PubChem CID 136585231) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol
PubChem CID136585231
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol
SMILESOC1(c2ccccn2)CCNCC1N1CC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C20H25N3O2/c24-20(18-8-4-5-11-22-18)10-12-21-14-19(20)23-13-9-17(15-23)25-16-6-2-1-3-7-16/h1-8,11,17,19,21,24H,9-10,12-15H2/t17-,19?,20?/m0/s1
InChIKeyKVJHQSBNTAFGHA-KKXNLOMOSA-N
XLogP1.78
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol?
The IUPAC name of 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol (CID 136585231) is 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol.
What is the SMILES notation for 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol?
The canonical SMILES for 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol is OC1(c2ccccn2)CCNCC1N1CC[C@H](Oc2ccccc2)C1.
What is the InChIKey of 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol?
The InChIKey is KVJHQSBNTAFGHA-KKXNLOMOSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(18-8-4-5-11-22-18)10-12-21-14-19(20)23-13-9-17(15-23)25-16-6-2-1-3-7-16/h1-8,11,17,19,21,24H,9-10,12-15H2/t17-,19?,20?/m0/s1.
What are the key properties of 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol?
3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol has a molecular weight of 339.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-phenoxypyrrolidin-1-yl]-4-pyridin-2-ylpiperidin-4-ol is sourced from PubChem (CID 136585231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).