2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide

C16H29Cl2N3O2 — CID 167323210

IUPAC2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(C(N)C2CC(Cl)C(Cl)CC2O)CC1
InChIInChI=1S/C16H29Cl2N3O2/c1-20(2)15(23)9-21-5-3-10(4-6-21)16(19)11-7-12(17)13(18)8-14(11)22/h10-14,16,22H,3-9,19H2,1-2H3
InChIKeyQETHFHOGCQVBRT-UHFFFAOYSA-N
MW366.33 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 167323210) has the molecular formula C16H29Cl2N3O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID167323210
Molecular FormulaC16H29Cl2N3O2
Molecular Weight366.33 g/mol
Exact Mass365.16
IUPAC Name2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(C(N)C2CC(Cl)C(Cl)CC2O)CC1
InChIInChI=1S/C16H29Cl2N3O2/c1-20(2)15(23)9-21-5-3-10(4-6-21)16(19)11-7-12(17)13(18)8-14(11)22/h10-14,16,22H,3-9,19H2,1-2H3
InChIKeyQETHFHOGCQVBRT-UHFFFAOYSA-N
XLogP1.10
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide 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 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 167323210) is 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(C(N)C2CC(Cl)C(Cl)CC2O)CC1.
What is the InChIKey of 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is QETHFHOGCQVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29Cl2N3O2/c1-20(2)15(23)9-21-5-3-10(4-6-21)16(19)11-7-12(17)13(18)8-14(11)22/h10-14,16,22H,3-9,19H2,1-2H3.
What are the key properties of 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 366.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 167323210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).