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

C24H41ClN2O3 — CID 24836575

IUPACdecyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
SMILESCCCCCCCCCCOC(=O)Nc1ccc(OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C24H40N2O3.ClH/c1-2-3-4-5-6-7-8-12-20-29-24(27)25-22-13-15-23(16-14-22)28-21-19-26-17-10-9-11-18-26;/h13-16H,2-12,17-21H2,1H3,(H,25,27);1H
InChIKeyMVDVLDYWFJXQFJ-UHFFFAOYSA-N
MW441.06 g/mol
LogP6.66
Rot. Bonds14

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

decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride (PubChem CID 24836575) has the molecular formula C24H41ClN2O3 and a molecular weight of 441.06 g/mol. Its IUPAC name is decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Namedecyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
PubChem CID24836575
Molecular FormulaC24H41ClN2O3
Molecular Weight441.06 g/mol
Exact Mass440.28
IUPAC Namedecyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
SMILESCCCCCCCCCCOC(=O)Nc1ccc(OCCN2CCCCC2)cc1.Cl
InChIInChI=1S/C24H40N2O3.ClH/c1-2-3-4-5-6-7-8-12-20-29-24(27)25-22-13-15-23(16-14-22)28-21-19-26-17-10-9-11-18-26;/h13-16H,2-12,17-21H2,1H3,(H,25,27);1H
InChIKeyMVDVLDYWFJXQFJ-UHFFFAOYSA-N
XLogP6.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.06
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
CID 101362582
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
(2S)-2-ethoxy-2-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]heptanamide
CID 100728392

Frequently Asked Questions

What is the IUPAC name of decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
The IUPAC name of decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride (CID 24836575) is decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride.
What is the SMILES notation for decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
The canonical SMILES for decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride is CCCCCCCCCCOC(=O)Nc1ccc(OCCN2CCCCC2)cc1.Cl.
What is the InChIKey of decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
The InChIKey is MVDVLDYWFJXQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3.ClH/c1-2-3-4-5-6-7-8-12-20-29-24(27)25-22-13-15-23(16-14-22)28-21-19-26-17-10-9-11-18-26;/h13-16H,2-12,17-21H2,1H3,(H,25,27);1H.
What are the key properties of decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride?
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride has a molecular weight of 441.06 g/mol, XLogP of 6.66, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride is sourced from PubChem (CID 24836575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).