1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine

C17H27ClN2 — CID 103503885

IUPAC1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H27ClN2/c1-12(2)14-7-9-20(10-8-14)17-6-4-5-16(18)15(17)11-13(3)19/h4-6,12-14H,7-11,19H2,1-3H3
InChIKeyIUQHUBQLCPBGLE-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine

1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 103503885) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID103503885
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H27ClN2/c1-12(2)14-7-9-20(10-8-14)17-6-4-5-16(18)15(17)11-13(3)19/h4-6,12-14H,7-11,19H2,1-3H3
InChIKeyIUQHUBQLCPBGLE-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
1-[2-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63787159
1-[2-(chloromethyl)-3-fluorophenyl]-4-propan-2-ylpiperidine
CID 114065502
N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43280259
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
CID 55234857
1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 79183981
[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]methanamine
CID 62091270
1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852
1-[2-chloro-6-(1,4-oxazepan-4-yl)phenyl]butan-2-amine
CID 55236034
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 106835977
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
CID 62774618

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine (CID 103503885) is 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine is CC(N)Cc1c(Cl)cccc1N1CCC(C(C)C)CC1.
What is the InChIKey of 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is IUQHUBQLCPBGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-12(2)14-7-9-20(10-8-14)17-6-4-5-16(18)15(17)11-13(3)19/h4-6,12-14H,7-11,19H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 103503885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).