4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline

C25H29N3 — CID 135322521

IUPAC4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline
SMILESNc1ccc(CN2CCC(CCc3ccccc3)(c3ccccn3)CC2)cc1
InChIInChI=1S/C25H29N3/c26-23-11-9-22(10-12-23)20-28-18-15-25(16-19-28,24-8-4-5-17-27-24)14-13-21-6-2-1-3-7-21/h1-12,17H,13-16,18-20,26H2
InChIKeyBGCIYQKZRTXGGE-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.83
Rot. Bonds6

About 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline

4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline (PubChem CID 135322521) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline
PubChem CID135322521
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline
SMILESNc1ccc(CN2CCC(CCc3ccccc3)(c3ccccn3)CC2)cc1
InChIInChI=1S/C25H29N3/c26-23-11-9-22(10-12-23)20-28-18-15-25(16-19-28,24-8-4-5-17-27-24)14-13-21-6-2-1-3-7-21/h1-12,17H,13-16,18-20,26H2
InChIKeyBGCIYQKZRTXGGE-UHFFFAOYSA-N
XLogP4.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]phenyl]pentanamide
CID 140909133
tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
N-[4-[[4-(6-fluoro-2-pyridinyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135323099
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
8-benzyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79509458
4-[(3R)-1-benzyl-3-methylpyrrolidin-3-yl]aniline
CID 124566342
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline?
The IUPAC name of 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline (CID 135322521) is 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline.
What is the SMILES notation for 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline?
The canonical SMILES for 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline is Nc1ccc(CN2CCC(CCc3ccccc3)(c3ccccn3)CC2)cc1.
What is the InChIKey of 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline?
The InChIKey is BGCIYQKZRTXGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3/c26-23-11-9-22(10-12-23)20-28-18-15-25(16-19-28,24-8-4-5-17-27-24)14-13-21-6-2-1-3-7-21/h1-12,17H,13-16,18-20,26H2.
What are the key properties of 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline?
4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline has a molecular weight of 371.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline is sourced from PubChem (CID 135322521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).