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

C16H25ClN2 — CID 103503461

IUPAC4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
SMILESCC(C)C1CCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2/c1-13(2)14-7-10-19(11-8-14)12-9-18-16-5-3-15(17)4-6-16/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyCRHNUHRKMUIJAJ-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.12
Rot. Bonds5

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

4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline (PubChem CID 103503461) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
PubChem CID103503461
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
SMILESCC(C)C1CCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2/c1-13(2)14-7-10-19(11-8-14)12-9-18-16-5-3-15(17)4-6-16/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyCRHNUHRKMUIJAJ-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
CID 62557542
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64583608
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
CID 62888220
4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline
CID 63501719
4-chloro-N-[2-(1,4-thiazepan-4-yl)ethyl]aniline
CID 62557767
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline (CID 103503461) is 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline is CC(C)C1CCN(CCNc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline?
The InChIKey is CRHNUHRKMUIJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(2)14-7-10-19(11-8-14)12-9-18-16-5-3-15(17)4-6-16/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline?
4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline has a molecular weight of 280.84 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 103503461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).