ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride

C16H25ClN2O3 — CID 24836577

IUPACethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc(OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-2-20-16(19)17-14-6-8-15(9-7-14)21-13-12-18-10-4-3-5-11-18;/h6-9H,2-5,10-13H2,1H3,(H,17,19);1H
InChIKeyKFYWONDYFCCVMD-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.54
Rot. Bonds6

About ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride

ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride (PubChem CID 24836577) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
PubChem CID24836577
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Nameethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc(OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-2-20-16(19)17-14-6-8-15(9-7-14)21-13-12-18-10-4-3-5-11-18;/h6-9H,2-5,10-13H2,1H3,(H,17,19);1H
InChIKeyKFYWONDYFCCVMD-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-methoxy-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100702903
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride (CID 24836577) is ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride is CCOC(=O)Nc1ccc(OCCN2CCCCC2)cc1.Cl.
What is the InChIKey of ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
The InChIKey is KFYWONDYFCCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-2-20-16(19)17-14-6-8-15(9-7-14)21-13-12-18-10-4-3-5-11-18;/h6-9H,2-5,10-13H2,1H3,(H,17,19);1H.
What are the key properties of ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride is sourced from PubChem (CID 24836577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).