1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride

C21H30Cl2N2 — CID 68721726

IUPAC1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride
SMILESCC(CCN1CCC(N)CC1)(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N2.2ClH/c1-21(18-8-4-2-5-9-18,19-10-6-3-7-11-19)14-17-23-15-12-20(22)13-16-23;;/h2-11,20H,12-17,22H2,1H3;2*1H
InChIKeyCJWXOURYNKRLHN-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.65
Rot. Bonds5

About 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride

1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride (PubChem CID 68721726) has the molecular formula C21H30Cl2N2 and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride
PubChem CID68721726
Molecular FormulaC21H30Cl2N2
Molecular Weight381.39 g/mol
Exact Mass380.18
IUPAC Name1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride
SMILESCC(CCN1CCC(N)CC1)(c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N2.2ClH/c1-21(18-8-4-2-5-9-18,19-10-6-3-7-11-19)14-17-23-15-12-20(22)13-16-23;;/h2-11,20H,12-17,22H2,1H3;2*1H
InChIKeyCJWXOURYNKRLHN-UHFFFAOYSA-N
XLogP4.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride (CID 68721726) is 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride is CC(CCN1CCC(N)CC1)(c1ccccc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride?
The InChIKey is CJWXOURYNKRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2.2ClH/c1-21(18-8-4-2-5-9-18,19-10-6-3-7-11-19)14-17-23-15-12-20(22)13-16-23;;/h2-11,20H,12-17,22H2,1H3;2*1H.
What are the key properties of 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride?
1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride has a molecular weight of 381.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylbutyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 68721726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).