(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C22H29N3O — CID 134704934

IUPAC(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1Cc1ccncc1
InChIInChI=1S/C22H29N3O/c26-22-17-25(16-20(22)14-18-6-10-23-11-7-18)21-8-12-24(13-9-21)15-19-4-2-1-3-5-19/h1-7,10-11,20-22,26H,8-9,12-17H2/t20-,22+/m1/s1
InChIKeyFOJOTEJFSVTDFI-IRLDBZIGSA-N
MW351.49 g/mol
LogP2.58
Rot. Bonds5

About (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134704934) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID134704934
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1Cc1ccncc1
InChIInChI=1S/C22H29N3O/c26-22-17-25(16-20(22)14-18-6-10-23-11-7-18)21-8-12-24(13-9-21)15-19-4-2-1-3-5-19/h1-7,10-11,20-22,26H,8-9,12-17H2/t20-,22+/m1/s1
InChIKeyFOJOTEJFSVTDFI-IRLDBZIGSA-N
XLogP2.58
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(1-benzylpiperidin-4-yl)-4-ethoxypyrrolidin-3-ol
CID 91786054
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134709218
[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70708947
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 134704934) is (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is O[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1Cc1ccncc1.
What is the InChIKey of (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is FOJOTEJFSVTDFI-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H29N3O/c26-22-17-25(16-20(22)14-18-6-10-23-11-7-18)21-8-12-24(13-9-21)15-19-4-2-1-3-5-19/h1-7,10-11,20-22,26H,8-9,12-17H2/t20-,22+/m1/s1.
What are the key properties of (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 351.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134704934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).