ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride

C15H29ClN2O2 — CID 18372812

IUPACethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride
SMILESCCOC(=O)N(CC1CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-2-19-15(18)17(14-8-10-16-11-9-14)12-13-6-4-3-5-7-13;/h13-14,16H,2-12H2,1H3;1H
InChIKeyPFMQPIUHUMLBDB-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.20
Rot. Bonds4

About ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride

ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride (PubChem CID 18372812) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride
PubChem CID18372812
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Nameethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride
SMILESCCOC(=O)N(CC1CCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-2-19-15(18)17(14-8-10-16-11-9-14)12-13-6-4-3-5-7-13;/h13-14,16H,2-12H2,1H3;1H
InChIKeyPFMQPIUHUMLBDB-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride?
The IUPAC name of ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride (CID 18372812) is ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride.
What is the SMILES notation for ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride?
The canonical SMILES for ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride is CCOC(=O)N(CC1CCCCC1)C1CCNCC1.Cl.
What is the InChIKey of ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride?
The InChIKey is PFMQPIUHUMLBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-2-19-15(18)17(14-8-10-16-11-9-14)12-13-6-4-3-5-7-13;/h13-14,16H,2-12H2,1H3;1H.
What are the key properties of ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride?
ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate;hydrochloride is sourced from PubChem (CID 18372812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).