(1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine

C26H30ClN3O — CID 137423523

IUPAC(1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESClc1ccc([C@@H](NCC2CCN(CCOc3ccccc3)CC2)c2ccccn2)cc1
InChIInChI=1S/C26H30ClN3O/c27-23-11-9-22(10-12-23)26(25-8-4-5-15-28-25)29-20-21-13-16-30(17-14-21)18-19-31-24-6-2-1-3-7-24/h1-12,15,21,26,29H,13-14,16-20H2/t26-/m1/s1
InChIKeyHSGAHVKGLOLDHR-AREMUKBSSA-N
MW436.00 g/mol
LogP5.20
Rot. Bonds9

About (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine

(1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 137423523) has the molecular formula C26H30ClN3O and a molecular weight of 436.00 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID137423523
Molecular FormulaC26H30ClN3O
Molecular Weight436.00 g/mol
Exact Mass435.21
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESClc1ccc([C@@H](NCC2CCN(CCOc3ccccc3)CC2)c2ccccn2)cc1
InChIInChI=1S/C26H30ClN3O/c27-23-11-9-22(10-12-23)26(25-8-4-5-15-28-25)29-20-21-13-16-30(17-14-21)18-19-31-24-6-2-1-3-7-24/h1-12,15,21,26,29H,13-14,16-20H2/t26-/m1/s1
InChIKeyHSGAHVKGLOLDHR-AREMUKBSSA-N
XLogP5.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine with MolForge

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Related Compounds

3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
US10155760, Example 238
CID 118419882
US10155760, Example 147
CID 118429884
2-[(4-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263330
2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263336
2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263337
2-[1-(3-Chlorophenyl)propoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263338
3-[[4-[(3,4-Dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
CID 134693742
(2R)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-N-methylpropan-2-amine
CID 10357643
2-Chloro-3-(2-pyridin-2-yl-vinyl)-5-(pyrrolidin-2-ylmethoxy)-pyridine
CID 10903166

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine (CID 137423523) is (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine is Clc1ccc([C@@H](NCC2CCN(CCOc3ccccc3)CC2)c2ccccn2)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is HSGAHVKGLOLDHR-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30ClN3O/c27-23-11-9-22(10-12-23)26(25-8-4-5-15-28-25)29-20-21-13-16-30(17-14-21)18-19-31-24-6-2-1-3-7-24/h1-12,15,21,26,29H,13-14,16-20H2/t26-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine?
(1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 436.00 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 137423523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).