(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine

C23H30N2O — CID 28784062

IUPAC(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
SMILESc1ccc(COc2ccc(CN3CCC[C@@H](N4CCCC4)C3)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-2-7-21(8-3-1)19-26-23-12-10-20(11-13-23)17-24-14-6-9-22(18-24)25-15-4-5-16-25/h1-3,7-8,10-13,22H,4-6,9,14-19H2/t22-/m1/s1
InChIKeyMAPHDFARDWJDGO-JOCHJYFZSA-N
MW350.51 g/mol
LogP4.33
Rot. Bonds6

About (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine

(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine (PubChem CID 28784062) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
PubChem CID28784062
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
SMILESc1ccc(COc2ccc(CN3CCC[C@@H](N4CCCC4)C3)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-2-7-21(8-3-1)19-26-23-12-10-20(11-13-23)17-24-14-6-9-22(18-24)25-15-4-5-16-25/h1-3,7-8,10-13,22H,4-6,9,14-19H2/t22-/m1/s1
InChIKeyMAPHDFARDWJDGO-JOCHJYFZSA-N
XLogP4.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine 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

(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77085937
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
(9aS)-2-[[4-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839933
4-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 100748585
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)aniline
CID 63149912
2-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)phenoxy]-N,N-dimethylethanamine
CID 77096751
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
5-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N-benzylpyrimidin-2-amine
CID 56701298

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine?
The IUPAC name of (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine (CID 28784062) is (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine?
The canonical SMILES for (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine is c1ccc(COc2ccc(CN3CCC[C@@H](N4CCCC4)C3)cc2)cc1.
What is the InChIKey of (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine?
The InChIKey is MAPHDFARDWJDGO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-7-21(8-3-1)19-26-23-12-10-20(11-13-23)17-24-14-6-9-22(18-24)25-15-4-5-16-25/h1-3,7-8,10-13,22H,4-6,9,14-19H2/t22-/m1/s1.
What are the key properties of (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine?
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine has a molecular weight of 350.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 28784062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).