4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline

C15H23ClN2 — CID 82215482

IUPAC4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cl)CN2CCCCC2)cc1
InChIInChI=1S/C15H23ClN2/c1-17(2)14-8-6-13(7-9-14)15(16)12-18-10-4-3-5-11-18/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyWIAYZZZIXKQHGP-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.52
Rot. Bonds4

About 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline

4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline (PubChem CID 82215482) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
PubChem CID82215482
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(Cl)CN2CCCCC2)cc1
InChIInChI=1S/C15H23ClN2/c1-17(2)14-8-6-13(7-9-14)15(16)12-18-10-4-3-5-11-18/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyWIAYZZZIXKQHGP-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(azepan-1-yl)-1-chloroethyl]-N,N-dimethylaniline
CID 82215457
1-[2-(4-tert-butylphenyl)-2-chloroethyl]pyrrolidine
CID 82214702
N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
CID 83977914
1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
CID 82214628
4-[1-chloro-2-(dimethylamino)ethyl]-N,N-dimethylaniline
CID 82215480
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
1-[2-chloro-2-(4-methyl-3-nitrophenyl)ethyl]pyrrolidine
CID 82215735
4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline
CID 59746476
1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
CID 82214808
1-[2-fluoro-2-(4-propan-2-ylphenyl)ethyl]piperidine;hydrochloride
CID 131865136
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
CID 54609342

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline (CID 82215482) is 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline is CN(C)c1ccc(C(Cl)CN2CCCCC2)cc1.
What is the InChIKey of 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline?
The InChIKey is WIAYZZZIXKQHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-17(2)14-8-6-13(7-9-14)15(16)12-18-10-4-3-5-11-18/h6-9,15H,3-5,10-12H2,1-2H3.
What are the key properties of 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline?
4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline has a molecular weight of 266.82 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline is sourced from PubChem (CID 82215482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).