2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride

C15H22Cl2N2O2 — CID 138398474

IUPAC2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
SMILESCc1ccc(NC(=O)OCCN2CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-12-5-6-13(11-14(12)16)17-15(19)20-10-9-18-7-3-2-4-8-18;/h5-6,11H,2-4,7-10H2,1H3,(H,17,19);1H
InChIKeyLMQOWJRVRFPYHA-UHFFFAOYSA-N
MW333.26 g/mol
LogP4.10
Rot. Bonds4

About 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride

2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride (PubChem CID 138398474) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
PubChem CID138398474
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
SMILESCc1ccc(NC(=O)OCCN2CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-12-5-6-13(11-14(12)16)17-15(19)20-10-9-18-7-3-2-4-8-18;/h5-6,11H,2-4,7-10H2,1H3,(H,17,19);1H
InChIKeyLMQOWJRVRFPYHA-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
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CID 8895979
3-bromopropyl N-(3-chloro-4-methylphenyl)carbamate
CID 103970695
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ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
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2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
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ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
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2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
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N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride?
The IUPAC name of 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride (CID 138398474) is 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride is Cc1ccc(NC(=O)OCCN2CCCCC2)cc1Cl.Cl.
What is the InChIKey of 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride?
The InChIKey is LMQOWJRVRFPYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-12-5-6-13(11-14(12)16)17-15(19)20-10-9-18-7-3-2-4-8-18;/h5-6,11H,2-4,7-10H2,1H3,(H,17,19);1H.
What are the key properties of 2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride?
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 4.10, 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-(3-chloro-4-methylphenyl)carbamate;hydrochloride is sourced from PubChem (CID 138398474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).