N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline

C19H23ClN2 — CID 827171

IUPACN-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
SMILESClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23ClN2/c20-19(16-21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2
InChIKeyJCHPURCMHDZKSA-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.37
Rot. Bonds5

About N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline

N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline (PubChem CID 827171) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
PubChem CID827171
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline
SMILESClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H23ClN2/c20-19(16-21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2
InChIKeyJCHPURCMHDZKSA-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(4-anilino-1-benzylpiperidin-4-yl)-dideuteriomethanol
CID 44604890
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
1-benzylazepane
CID 10954328
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline?
The IUPAC name of N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline (CID 827171) is N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline?
The canonical SMILES for N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline is ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline?
The InChIKey is JCHPURCMHDZKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-19(16-21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-16H2.
What are the key properties of N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline?
N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline has a molecular weight of 314.86 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 827171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).