[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol

C23H32N2O2 — CID 133133541

IUPAC[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2-c2ccco2)C[C@@H]1CN1CCCCCC1
InChIInChI=1S/C23H32N2O2/c26-18-21-17-25(16-20(21)15-24-11-5-1-2-6-12-24)14-19-8-3-4-9-22(19)23-10-7-13-27-23/h3-4,7-10,13,20-21,26H,1-2,5-6,11-12,14-18H2/t20-,21-/m0/s1
InChIKeyWOXZOWQHWMIWEG-SFTDATJTSA-N
MW368.52 g/mol
LogP3.86
Rot. Bonds6

About [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol

[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 133133541) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID133133541
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2-c2ccco2)C[C@@H]1CN1CCCCCC1
InChIInChI=1S/C23H32N2O2/c26-18-21-17-25(16-20(21)15-24-11-5-1-2-6-12-24)14-19-8-3-4-9-22(19)23-10-7-13-27-23/h3-4,7-10,13,20-21,26H,1-2,5-6,11-12,14-18H2/t20-,21-/m0/s1
InChIKeyWOXZOWQHWMIWEG-SFTDATJTSA-N
XLogP3.86
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S,4S)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 133128691
[(3S,4S)-1-(naphthalen-2-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133112262
[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45234763
1-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 70738669
[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70782105
[1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 78085255
[(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70708947
N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42355837
[(3S,4S)-1-[[5-(3-chlorophenyl)furan-2-yl]methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133134001
[(3R,4R)-1-[(2-chloro-3,6-difluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70772381
1-[4-[[(3S,5R)-4-[[2-(furan-2-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 161485556
1-[2-[2-(furan-2-yl)phenoxy]ethyl]piperidine
CID 168525389

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol (CID 133133541) is [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol is OC[C@@H]1CN(Cc2ccccc2-c2ccco2)C[C@@H]1CN1CCCCCC1.
What is the InChIKey of [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is WOXZOWQHWMIWEG-SFTDATJTSA-N. The full InChI is InChI=1S/C23H32N2O2/c26-18-21-17-25(16-20(21)15-24-11-5-1-2-6-12-24)14-19-8-3-4-9-22(19)23-10-7-13-27-23/h3-4,7-10,13,20-21,26H,1-2,5-6,11-12,14-18H2/t20-,21-/m0/s1.
What are the key properties of [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol?
[(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 368.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(azepan-1-ylmethyl)-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 133133541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).