N-[3-(4-chloropiperidin-1-yl)propyl]aniline

C14H21ClN2 — CID 70511270

IUPACN-[3-(4-chloropiperidin-1-yl)propyl]aniline
SMILESClC1CCN(CCCNc2ccccc2)CC1
InChIInChI=1S/C14H21ClN2/c15-13-7-11-17(12-8-13)10-4-9-16-14-5-2-1-3-6-14/h1-3,5-6,13,16H,4,7-12H2
InChIKeyHGWZYONFFCLEKW-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.19
Rot. Bonds5

About N-[3-(4-chloropiperidin-1-yl)propyl]aniline

N-[3-(4-chloropiperidin-1-yl)propyl]aniline (PubChem CID 70511270) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[3-(4-chloropiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(4-chloropiperidin-1-yl)propyl]aniline
PubChem CID70511270
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[3-(4-chloropiperidin-1-yl)propyl]aniline
SMILESClC1CCN(CCCNc2ccccc2)CC1
InChIInChI=1S/C14H21ClN2/c15-13-7-11-17(12-8-13)10-4-9-16-14-5-2-1-3-6-14/h1-3,5-6,13,16H,4,7-12H2
InChIKeyHGWZYONFFCLEKW-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
N-[3-(1,3-dihydroisoindol-2-yl)propyl]aniline
CID 62570411
N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3028861
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
N-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propyl]aniline
CID 81194517
N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butyl]aniline;trihydrochloride
CID 22252291
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4-dichloroaniline;hydrochloride
CID 18538685
N-[3-(4-benzylpiperidin-1-yl)propyl]-3-chloro-4-methylaniline
CID 18539233
ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
CID 71035315
N-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 61216518
N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
CID 62966555

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropiperidin-1-yl)propyl]aniline?
The IUPAC name of N-[3-(4-chloropiperidin-1-yl)propyl]aniline (CID 70511270) is N-[3-(4-chloropiperidin-1-yl)propyl]aniline.
What is the SMILES notation for N-[3-(4-chloropiperidin-1-yl)propyl]aniline?
The canonical SMILES for N-[3-(4-chloropiperidin-1-yl)propyl]aniline is ClC1CCN(CCCNc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-chloropiperidin-1-yl)propyl]aniline?
The InChIKey is HGWZYONFFCLEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-13-7-11-17(12-8-13)10-4-9-16-14-5-2-1-3-6-14/h1-3,5-6,13,16H,4,7-12H2.
What are the key properties of N-[3-(4-chloropiperidin-1-yl)propyl]aniline?
N-[3-(4-chloropiperidin-1-yl)propyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 70511270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).