1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine

C17H27ClN2 — CID 43748320

IUPAC1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
SMILESCCCCN1CCC(NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-3-4-11-20-12-9-15(10-13-20)19-14(2)16-7-5-6-8-17(16)18/h5-8,14-15,19H,3-4,9-13H2,1-2H3
InChIKeyHJUMKPAATSMTAN-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds6

About 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine

1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine (PubChem CID 43748320) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
PubChem CID43748320
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
SMILESCCCCN1CCC(NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-3-4-11-20-12-9-15(10-13-20)19-14(2)16-7-5-6-8-17(16)18/h5-8,14-15,19H,3-4,9-13H2,1-2H3
InChIKeyHJUMKPAATSMTAN-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine (CID 43748320) is 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine is CCCCN1CCC(NC(C)c2ccccc2Cl)CC1.
What is the InChIKey of 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine?
The InChIKey is HJUMKPAATSMTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-4-11-20-12-9-15(10-13-20)19-14(2)16-7-5-6-8-17(16)18/h5-8,14-15,19H,3-4,9-13H2,1-2H3.
What are the key properties of 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine?
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine has a molecular weight of 294.87 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43748320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).