1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine

C17H27ClN2 — CID 63454308

IUPAC1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
SMILESCCCC(NCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-2-6-17(15-7-9-16(18)10-8-15)19-11-14-20-12-4-3-5-13-20/h7-10,17,19H,2-6,11-14H2,1H3
InChIKeyBUPBDVKKHCGSIA-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine

1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine (PubChem CID 63454308) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
PubChem CID63454308
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
SMILESCCCC(NCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-2-6-17(15-7-9-16(18)10-8-15)19-11-14-20-12-4-3-5-13-20/h7-10,17,19H,2-6,11-14H2,1H3
InChIKeyBUPBDVKKHCGSIA-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
1-(4-chlorophenyl)-3-(1,4-oxazepan-4-yl)-N-propylpropan-1-amine
CID 62972105
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
1-(4-chlorophenyl)-N-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 2757853
1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 63456110
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine (CID 63454308) is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine is CCCC(NCCN1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine?
The InChIKey is BUPBDVKKHCGSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-2-6-17(15-7-9-16(18)10-8-15)19-11-14-20-12-4-3-5-13-20/h7-10,17,19H,2-6,11-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine?
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine is sourced from PubChem (CID 63454308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).