2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline

C19H21Cl3N2 — CID 141364021

IUPAC2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline
SMILESC[C@@H](Nc1cc(N2CCCCC2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl3N2/c1-13(16-7-5-14(20)11-18(16)22)23-19-12-15(6-8-17(19)21)24-9-3-2-4-10-24/h5-8,11-13,23H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyKFPYVFQOKMJWSE-CYBMUJFWSA-N
MW383.75 g/mol
LogP6.81
Rot. Bonds4

About 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline

2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline (PubChem CID 141364021) has the molecular formula C19H21Cl3N2 and a molecular weight of 383.75 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline
PubChem CID141364021
Molecular FormulaC19H21Cl3N2
Molecular Weight383.75 g/mol
Exact Mass382.08
IUPAC Name2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline
SMILESC[C@@H](Nc1cc(N2CCCCC2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl3N2/c1-13(16-7-5-14(20)11-18(16)22)23-19-12-15(6-8-17(19)21)24-9-3-2-4-10-24/h5-8,11-13,23H,2-4,9-10H2,1H3/t13-/m1/s1
InChIKeyKFPYVFQOKMJWSE-CYBMUJFWSA-N
XLogP6.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.75
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-5-(4-pyrrolidin-3-ylpiperidin-1-yl)aniline
CID 78120861
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-fluoro-5-piperazin-1-ylaniline
CID 86689051
3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide
CID 78120825
[3-[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]piperazin-1-yl]cyclohexyl]methanol
CID 86689053
methyl 1-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 126578858
N-[1-[1-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]piperidine-4-carbonyl]piperidin-4-yl]-N-methylacetamide
CID 71582386
[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 78120910
2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-4-piperazin-1-ylbenzonitrile
CID 86689055
1-[1-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidine-4-carbonyl]pyrrolidin-3-yl]-1-methylurea
CID 78121032
1-[3-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-4-yl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 126578490
(3S)-3-[(3S)-4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]-3-methylpiperazin-1-yl]cyclohexane-1-carboxylic acid
CID 164795165
trans-(1R,3R)-3-[4-[4-chloro-3-[1-(2-chloro-4-methylphenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide
CID 165109769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline?
The IUPAC name of 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline (CID 141364021) is 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline?
The canonical SMILES for 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline is C[C@@H](Nc1cc(N2CCCCC2)ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline?
The InChIKey is KFPYVFQOKMJWSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21Cl3N2/c1-13(16-7-5-14(20)11-18(16)22)23-19-12-15(6-8-17(19)21)24-9-3-2-4-10-24/h5-8,11-13,23H,2-4,9-10H2,1H3/t13-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline?
2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline has a molecular weight of 383.75 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline is sourced from PubChem (CID 141364021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).