cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride

C16H31ClN2O2 — CID 18372792

IUPACcyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
SMILESCCCN(C(=O)OCC1CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-2-12-18(15-8-10-17-11-9-15)16(19)20-13-14-6-4-3-5-7-14;/h14-15,17H,2-13H2,1H3;1H
InChIKeyWHVBJFKPSLHTEJ-UHFFFAOYSA-N
MW318.89 g/mol
LogP3.59
Rot. Bonds5

About cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride

cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride (PubChem CID 18372792) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride.

Molecular Properties

Compound Namecyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
PubChem CID18372792
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Namecyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride
SMILESCCCN(C(=O)OCC1CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-2-12-18(15-8-10-17-11-9-15)16(19)20-13-14-6-4-3-5-7-14;/h14-15,17H,2-13H2,1H3;1H
InChIKeyWHVBJFKPSLHTEJ-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride?
The IUPAC name of cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride (CID 18372792) is cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride.
What is the SMILES notation for cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride?
The canonical SMILES for cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride is CCCN(C(=O)OCC1CCCCC1)C1CCNCC1.Cl.
What is the InChIKey of cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride?
The InChIKey is WHVBJFKPSLHTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-2-12-18(15-8-10-17-11-9-15)16(19)20-13-14-6-4-3-5-7-14;/h14-15,17H,2-13H2,1H3;1H.
What are the key properties of cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride?
cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate;hydrochloride is sourced from PubChem (CID 18372792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).