[(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C18H26Cl2N2O — CID 70770408

IUPAC[(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1CN1CCCCC1
InChIInChI=1S/C18H26Cl2N2O/c19-17-5-4-6-18(20)16(17)12-22-10-14(15(11-22)13-23)9-21-7-2-1-3-8-21/h4-6,14-15,23H,1-3,7-13H2/t14-,15-/m1/s1
InChIKeyQVKHDSPWIIYWGT-HUUCEWRRSA-N
MW357.33 g/mol
LogP3.52
Rot. Bonds5

About [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70770408) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70770408
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name[(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1CN1CCCCC1
InChIInChI=1S/C18H26Cl2N2O/c19-17-5-4-6-18(20)16(17)12-22-10-14(15(11-22)13-23)9-21-7-2-1-3-8-21/h4-6,14-15,23H,1-3,7-13H2/t14-,15-/m1/s1
InChIKeyQVKHDSPWIIYWGT-HUUCEWRRSA-N
XLogP3.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70770408) is [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1CN1CCCCC1.
What is the InChIKey of [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is QVKHDSPWIIYWGT-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c19-17-5-4-6-18(20)16(17)12-22-10-14(15(11-22)13-23)9-21-7-2-1-3-8-21/h4-6,14-15,23H,1-3,7-13H2/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 357.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(2,6-dichlorophenyl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70770408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).