4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline

C14H21ClN2 — CID 62413919

IUPAC4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCN1CCCCC1CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-17-11-3-2-4-14(17)9-10-16-13-7-5-12(15)6-8-13/h5-8,14,16H,2-4,9-11H2,1H3
InChIKeyPDJVYZURVBJVCO-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.63
Rot. Bonds4

About 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline

4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (PubChem CID 62413919) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
PubChem CID62413919
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCN1CCCCC1CCNc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-17-11-3-2-4-14(17)9-10-16-13-7-5-12(15)6-8-13/h5-8,14,16H,2-4,9-11H2,1H3
InChIKeyPDJVYZURVBJVCO-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62416863
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
2-chloro-4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 107606615
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
4-chloro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 3527050
4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250285
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 18967331
4-(4-chlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(trichloromethyl)pyrimidin-2-amine
CID 558705
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
6-chloro-2-N-(3,4-dichlorophenyl)-4-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinazoline-2,4-diamine;pentahydrochloride
CID 90664847
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (CID 62413919) is 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is CN1CCCCC1CCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The InChIKey is PDJVYZURVBJVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17-11-3-2-4-14(17)9-10-16-13-7-5-12(15)6-8-13/h5-8,14,16H,2-4,9-11H2,1H3.
What are the key properties of 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is sourced from PubChem (CID 62413919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).