(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride

C15H26Cl2N4O — CID 119868735

IUPAC(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(n3ccnc3)CC2)CCCCC1
InChIInChI=1S/C15H24N4O.2ClH/c16-15(6-2-1-3-7-15)14(20)18-9-4-13(5-10-18)19-11-8-17-12-19;;/h8,11-13H,1-7,9-10,16H2;2*1H
InChIKeySEXHZVRAIPRHQS-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.55
Rot. Bonds2

About (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride

(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride (PubChem CID 119868735) has the molecular formula C15H26Cl2N4O and a molecular weight of 349.31 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride
PubChem CID119868735
Molecular FormulaC15H26Cl2N4O
Molecular Weight349.31 g/mol
Exact Mass348.15
IUPAC Name(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCC(n3ccnc3)CC2)CCCCC1
InChIInChI=1S/C15H24N4O.2ClH/c16-15(6-2-1-3-7-15)14(20)18-9-4-13(5-10-18)19-11-8-17-12-19;;/h8,11-13H,1-7,9-10,16H2;2*1H
InChIKeySEXHZVRAIPRHQS-UHFFFAOYSA-N
XLogP2.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The IUPAC name of (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride (CID 119868735) is (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCC(n3ccnc3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The InChIKey is SEXHZVRAIPRHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2ClH/c16-15(6-2-1-3-7-15)14(20)18-9-4-13(5-10-18)19-11-8-17-12-19;;/h8,11-13H,1-7,9-10,16H2;2*1H.
What are the key properties of (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride?
(1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119868735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).