(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol

C23H23ClN2O — CID 71168693

IUPAC(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(CN2CCCC2)cc1)c1ccccn1
InChIInChI=1S/C23H23ClN2O/c24-21-12-10-20(11-13-21)23(27,22-5-1-2-14-25-22)19-8-6-18(7-9-19)17-26-15-3-4-16-26/h1-2,5-14,27H,3-4,15-17H2
InChIKeyDERPEFOMFIQWBI-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.61
Rot. Bonds5

About (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol

(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol (PubChem CID 71168693) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
PubChem CID71168693
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(CN2CCCC2)cc1)c1ccccn1
InChIInChI=1S/C23H23ClN2O/c24-21-12-10-20(11-13-21)23(27,22-5-1-2-14-25-22)19-8-6-18(7-9-19)17-26-15-3-4-16-26/h1-2,5-14,27H,3-4,15-17H2
InChIKeyDERPEFOMFIQWBI-UHFFFAOYSA-N
XLogP4.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-1,1-diphenylpropan-1-ol
CID 23441029
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
tritert-butyl 11-[[4-[amino(dipyridin-2-yl)methyl]phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
CID 57292609
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 91209458
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
3-(4-chlorophenyl)-3-hydroxy-3-pyridin-2-ylpropanoate
CID 23062220
1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 24745175
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-benzylazepane
CID 10954328
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The IUPAC name of (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol (CID 71168693) is (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol.
What is the SMILES notation for (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The canonical SMILES for (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol is OC(c1ccc(Cl)cc1)(c1ccc(CN2CCCC2)cc1)c1ccccn1.
What is the InChIKey of (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
The InChIKey is DERPEFOMFIQWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c24-21-12-10-20(11-13-21)23(27,22-5-1-2-14-25-22)19-8-6-18(7-9-19)17-26-15-3-4-16-26/h1-2,5-14,27H,3-4,15-17H2.
What are the key properties of (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol?
(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol has a molecular weight of 378.90 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol is sourced from PubChem (CID 71168693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).