2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine

C17H27ClN2 — CID 63782919

IUPAC2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine
SMILESCC(C)(C)C1CCN(c2cccc(Cl)c2CCN)CC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)13-8-11-20(12-9-13)16-6-4-5-15(18)14(16)7-10-19/h4-6,13H,7-12,19H2,1-3H3
InChIKeyQKPPJUHIZDNWLR-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.10
Rot. Bonds3

About 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine

2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine (PubChem CID 63782919) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine
PubChem CID63782919
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine
SMILESCC(C)(C)C1CCN(c2cccc(Cl)c2CCN)CC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)13-8-11-20(12-9-13)16-6-4-5-15(18)14(16)7-10-19/h4-6,13H,7-12,19H2,1-3H3
InChIKeyQKPPJUHIZDNWLR-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]methanamine
CID 62091270
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63784820
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783024
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 63787232
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]ethanamine
CID 63782406
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine (CID 63782919) is 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine is CC(C)(C)C1CCN(c2cccc(Cl)c2CCN)CC1.
What is the InChIKey of 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine?
The InChIKey is QKPPJUHIZDNWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-17(2,3)13-8-11-20(12-9-13)16-6-4-5-15(18)14(16)7-10-19/h4-6,13H,7-12,19H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine?
2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine is sourced from PubChem (CID 63782919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).