1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide

C13H22Cl2N2O2 — CID 166510915

IUPAC1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CC(Cl)C(Cl)CC2O)CC1
InChIInChI=1S/C13H22Cl2N2O2/c14-10-5-9(12(18)6-11(10)15)7-17-3-1-8(2-4-17)13(16)19/h8-12,18H,1-7H2,(H2,16,19)
InChIKeyWUDMEFHYLBAUGV-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.17
Rot. Bonds3

About 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide

1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide (PubChem CID 166510915) has the molecular formula C13H22Cl2N2O2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
PubChem CID166510915
Molecular FormulaC13H22Cl2N2O2
Molecular Weight309.24 g/mol
Exact Mass308.11
IUPAC Name1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC2CC(Cl)C(Cl)CC2O)CC1
InChIInChI=1S/C13H22Cl2N2O2/c14-10-5-9(12(18)6-11(10)15)7-17-3-1-8(2-4-17)13(16)19/h8-12,18H,1-7H2,(H2,16,19)
InChIKeyWUDMEFHYLBAUGV-UHFFFAOYSA-N
XLogP1.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide (CID 166510915) is 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC2CC(Cl)C(Cl)CC2O)CC1.
What is the InChIKey of 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
The InChIKey is WUDMEFHYLBAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2N2O2/c14-10-5-9(12(18)6-11(10)15)7-17-3-1-8(2-4-17)13(16)19/h8-12,18H,1-7H2,(H2,16,19).
What are the key properties of 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide?
1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide has a molecular weight of 309.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 166510915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).