N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline

C17H27ClN2 — CID 63501829

IUPACN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline
SMILESCC(C)(C)C1CCN(CCNc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)14-7-10-20(11-8-14)12-9-19-16-6-4-5-15(18)13-16/h4-6,13-14,19H,7-12H2,1-3H3
InChIKeyXIKYDGPPCGYOFL-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.51
Rot. Bonds4

About N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline

N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline (PubChem CID 63501829) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline
PubChem CID63501829
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline
SMILESCC(C)(C)C1CCN(CCNc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)14-7-10-20(11-8-14)12-9-19-16-6-4-5-15(18)13-16/h4-6,13-14,19H,7-12H2,1-3H3
InChIKeyXIKYDGPPCGYOFL-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
3-chloro-N-[2-(3-methoxypiperidin-1-yl)ethyl]aniline
CID 102968345
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
CID 103503461
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline?
The IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline (CID 63501829) is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline.
What is the SMILES notation for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline?
The canonical SMILES for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline is CC(C)(C)C1CCN(CCNc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline?
The InChIKey is XIKYDGPPCGYOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-17(2,3)14-7-10-20(11-8-14)12-9-19-16-6-4-5-15(18)13-16/h4-6,13-14,19H,7-12H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline?
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline has a molecular weight of 294.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-chloroaniline is sourced from PubChem (CID 63501829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).