2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline

C18H21ClN2 — CID 102141115

IUPAC2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
SMILESClc1ccccc1NCc1ccccc1N1CCCCC1
InChIInChI=1S/C18H21ClN2/c19-16-9-3-4-10-17(16)20-14-15-8-2-5-11-18(15)21-12-6-1-7-13-21/h2-5,8-11,20H,1,6-7,12-14H2
InChIKeyMODQJXQCWPCFDB-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.94
Rot. Bonds4

About 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline

2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline (PubChem CID 102141115) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
PubChem CID102141115
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
SMILESClc1ccccc1NCc1ccccc1N1CCCCC1
InChIInChI=1S/C18H21ClN2/c19-16-9-3-4-10-17(16)20-14-15-8-2-5-11-18(15)21-12-6-1-7-13-21/h2-5,8-11,20H,1,6-7,12-14H2
InChIKeyMODQJXQCWPCFDB-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
3-fluoro-2-nitro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 133439770
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
CID 133439763
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43772755
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
CID 68584679
2-bromo-6-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 61390907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline (CID 102141115) is 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline is Clc1ccccc1NCc1ccccc1N1CCCCC1.
What is the InChIKey of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline?
The InChIKey is MODQJXQCWPCFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-16-9-3-4-10-17(16)20-14-15-8-2-5-11-18(15)21-12-6-1-7-13-21/h2-5,8-11,20H,1,6-7,12-14H2.
What are the key properties of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline?
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline has a molecular weight of 300.83 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 102141115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).