[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C22H35N3O — CID 70708947

IUPAC[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1CN1CCCC1
InChIInChI=1S/C22H35N3O/c26-18-21-17-25(16-20(21)15-23-10-4-5-11-23)22-8-12-24(13-9-22)14-19-6-2-1-3-7-19/h1-3,6-7,20-22,26H,4-5,8-18H2/t20-,21-/m1/s1
InChIKeyOHISPUVYTUFACP-NHCUHLMSSA-N
MW357.54 g/mol
LogP2.29
Rot. Bonds6

About [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70708947) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70708947
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1CN1CCCC1
InChIInChI=1S/C22H35N3O/c26-18-21-17-25(16-20(21)15-23-10-4-5-11-23)22-8-12-24(13-9-22)14-19-6-2-1-3-7-19/h1-3,6-7,20-22,26H,4-5,8-18H2/t20-,21-/m1/s1
InChIKeyOHISPUVYTUFACP-NHCUHLMSSA-N
XLogP2.29
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[4-[(3S,4S)-3-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]-phenylmethanone
CID 133122837
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134704934
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
CID 91011302
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
[(3S,4S)-1-(naphthalen-2-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133112262
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70708947) is [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1CN1CCCC1.
What is the InChIKey of [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is OHISPUVYTUFACP-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H35N3O/c26-18-21-17-25(16-20(21)15-23-10-4-5-11-23)22-8-12-24(13-9-22)14-19-6-2-1-3-7-19/h1-3,6-7,20-22,26H,4-5,8-18H2/t20-,21-/m1/s1.
What are the key properties of [(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 357.54 g/mol, XLogP of 2.29, 6 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-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70708947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).