(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate

C14H18ClNO2 — CID 89322008

IUPAC(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate
SMILESCCC1CCN(C(=O)Oc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-2-11-7-9-16(10-8-11)14(17)18-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3
InChIKeyAYHLSIUSZCSKCD-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.96
Rot. Bonds2

About (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate

(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate (PubChem CID 89322008) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate
PubChem CID89322008
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate
SMILESCCC1CCN(C(=O)Oc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO2/c1-2-11-7-9-16(10-8-11)14(17)18-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3
InChIKeyAYHLSIUSZCSKCD-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175094409
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone
CID 54876088
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
(2,3-difluorophenyl) 4-prop-2-ynylpiperidine-1-carboxylate
CID 87216957
(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 55041866

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate?
The IUPAC name of (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate (CID 89322008) is (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate?
The canonical SMILES for (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate is CCC1CCN(C(=O)Oc2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate?
The InChIKey is AYHLSIUSZCSKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-11-7-9-16(10-8-11)14(17)18-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate?
(2-chlorophenyl) 4-ethylpiperidine-1-carboxylate has a molecular weight of 267.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 89322008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).