1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine

C18H29ClN2 — CID 83046686

IUPAC1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCCC1CCCCN1c1ccc(CC(N)CC)cc1Cl
InChIInChI=1S/C18H29ClN2/c1-3-7-16-8-5-6-11-21(16)18-10-9-14(13-17(18)19)12-15(20)4-2/h9-10,13,15-16H,3-8,11-12,20H2,1-2H3
InChIKeyCHDOJSJRUKUKJQ-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.78
Rot. Bonds6

About 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine

1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 83046686) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
PubChem CID83046686
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCCC1CCCCN1c1ccc(CC(N)CC)cc1Cl
InChIInChI=1S/C18H29ClN2/c1-3-7-16-8-5-6-11-21(16)18-10-9-14(13-17(18)19)12-15(20)4-2/h9-10,13,15-16H,3-8,11-12,20H2,1-2H3
InChIKeyCHDOJSJRUKUKJQ-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-methyl-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83045785
1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine
CID 63787296
N-[[3-chloro-4-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690830
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-chlorophenyl]butan-2-amine
CID 81159815
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
CID 83053330
1-[3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]butan-2-amine
CID 81166008
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 83044639
N-[[3-chloro-4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 81149011
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793608

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine (CID 83046686) is 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine is CCCC1CCCCN1c1ccc(CC(N)CC)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is CHDOJSJRUKUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-7-16-8-5-6-11-21(16)18-10-9-14(13-17(18)19)12-15(20)4-2/h9-10,13,15-16H,3-8,11-12,20H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine?
1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 308.90 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 83046686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).