3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride

C15H23Cl3N2 — CID 11551791

IUPAC3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride
SMILESCCCCC1CN(c2cc(Cl)cc(Cl)c2)CCC1N.Cl
InChIInChI=1S/C15H22Cl2N2.ClH/c1-2-3-4-11-10-19(6-5-15(11)18)14-8-12(16)7-13(17)9-14;/h7-9,11,15H,2-6,10,18H2,1H3;1H
InChIKeyYWACKKFLQDQRAL-UHFFFAOYSA-N
MW337.72 g/mol
LogP4.76
Rot. Bonds4

About 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride

3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride (PubChem CID 11551791) has the molecular formula C15H23Cl3N2 and a molecular weight of 337.72 g/mol. Its IUPAC name is 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride
PubChem CID11551791
Molecular FormulaC15H23Cl3N2
Molecular Weight337.72 g/mol
Exact Mass336.09
IUPAC Name3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride
SMILESCCCCC1CN(c2cc(Cl)cc(Cl)c2)CCC1N.Cl
InChIInChI=1S/C15H22Cl2N2.ClH/c1-2-3-4-11-10-19(6-5-15(11)18)14-8-12(16)7-13(17)9-14;/h7-9,11,15H,2-6,10,18H2,1H3;1H
InChIKeyYWACKKFLQDQRAL-UHFFFAOYSA-N
XLogP4.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride (CID 11551791) is 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride is CCCCC1CN(c2cc(Cl)cc(Cl)c2)CCC1N.Cl.
What is the InChIKey of 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride?
The InChIKey is YWACKKFLQDQRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2.ClH/c1-2-3-4-11-10-19(6-5-15(11)18)14-8-12(16)7-13(17)9-14;/h7-9,11,15H,2-6,10,18H2,1H3;1H.
What are the key properties of 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride?
3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride has a molecular weight of 337.72 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(3,5-dichlorophenyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 11551791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).