2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate

C15H21ClN2O2 — CID 30014

IUPAC2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate
SMILESCc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c1-12-5-6-13(16)11-14(12)17-15(19)20-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyVLYRXHDXJSYMAM-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.68
Rot. Bonds4

About 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate

2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate (PubChem CID 30014) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate
PubChem CID30014
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate
SMILESCc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c1-12-5-6-13(16)11-14(12)17-15(19)20-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyVLYRXHDXJSYMAM-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride
CID 30011
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
N-(5-chloro-2-methylphenyl)piperidine-1-carbothioamide
CID 19653661
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate?
The IUPAC name of 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate (CID 30014) is 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate?
The canonical SMILES for 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate is Cc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate?
The InChIKey is VLYRXHDXJSYMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12-5-6-13(16)11-14(12)17-15(19)20-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate?
2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate has a molecular weight of 296.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate is sourced from PubChem (CID 30014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).