propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride

C16H29ClN2O2 — CID 139902154

IUPACpropan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride
SMILESC=C1CCC(N(C(=O)OC(C)C)C2CCNCC2)CC1.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-12(2)20-16(19)18(15-8-10-17-11-9-15)14-6-4-13(3)5-7-14;/h12,14-15,17H,3-11H2,1-2H3;1H
InChIKeyIWVGJDNJSCWYNV-UHFFFAOYSA-N
MW316.87 g/mol
LogP3.51
Rot. Bonds3

About propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride

propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride (PubChem CID 139902154) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride
PubChem CID139902154
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC Namepropan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride
SMILESC=C1CCC(N(C(=O)OC(C)C)C2CCNCC2)CC1.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-12(2)20-16(19)18(15-8-10-17-11-9-15)14-6-4-13(3)5-7-14;/h12,14-15,17H,3-11H2,1-2H3;1H
InChIKeyIWVGJDNJSCWYNV-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;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 propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride?
The IUPAC name of propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride (CID 139902154) is propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride.
What is the SMILES notation for propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride?
The canonical SMILES for propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride is C=C1CCC(N(C(=O)OC(C)C)C2CCNCC2)CC1.Cl.
What is the InChIKey of propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride?
The InChIKey is IWVGJDNJSCWYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c1-12(2)20-16(19)18(15-8-10-17-11-9-15)14-6-4-13(3)5-7-14;/h12,14-15,17H,3-11H2,1-2H3;1H.
What are the key properties of propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride?
propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-methylidenecyclohexyl)-N-piperidin-4-ylcarbamate;hydrochloride is sourced from PubChem (CID 139902154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).