(4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride

C17H29ClN2O — CID 16800351

IUPAC(4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride
SMILESCN1CCN(C(=O)C23CC4CCC(CC(C4)C2)C3)CC1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-18-4-6-19(7-5-18)16(20)17-10-13-2-3-14(11-17)9-15(8-13)12-17;/h13-15H,2-12H2,1H3;1H
InChIKeyFUDXAFALQPQZOA-UHFFFAOYSA-N
MW312.89 g/mol
LogP2.79
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride

(4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride (PubChem CID 16800351) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride
PubChem CID16800351
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name(4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride
SMILESCN1CCN(C(=O)C23CC4CCC(CC(C4)C2)C3)CC1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-18-4-6-19(7-5-18)16(20)17-10-13-2-3-14(11-17)9-15(8-13)12-17;/h13-15H,2-12H2,1H3;1H
InChIKeyFUDXAFALQPQZOA-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;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 (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride (CID 16800351) is (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride is CN1CCN(C(=O)C23CC4CCC(CC(C4)C2)C3)CC1.Cl.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride?
The InChIKey is FUDXAFALQPQZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-18-4-6-19(7-5-18)16(20)17-10-13-2-3-14(11-17)9-15(8-13)12-17;/h13-15H,2-12H2,1H3;1H.
What are the key properties of (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride?
(4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride has a molecular weight of 312.89 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-tricyclo[4.3.1.13,8]undecanyl)methanone;hydrochloride is sourced from PubChem (CID 16800351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).