(4-chlorophenyl) piperidine-1-carboxylate

C12H14ClNO2 — CID 726748

IUPAC(4-chlorophenyl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-6-11(7-5-10)16-12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKeyXKDUIEMPOJNANI-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.32
Rot. Bonds1

About (4-chlorophenyl) piperidine-1-carboxylate

(4-chlorophenyl) piperidine-1-carboxylate (PubChem CID 726748) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (4-chlorophenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) piperidine-1-carboxylate
PubChem CID726748
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(4-chlorophenyl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-6-11(7-5-10)16-12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKeyXKDUIEMPOJNANI-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) piperidine-1-carboxylate?
The IUPAC name of (4-chlorophenyl) piperidine-1-carboxylate (CID 726748) is (4-chlorophenyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-chlorophenyl) piperidine-1-carboxylate?
The canonical SMILES for (4-chlorophenyl) piperidine-1-carboxylate is O=C(Oc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of (4-chlorophenyl) piperidine-1-carboxylate?
The InChIKey is XKDUIEMPOJNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-6-11(7-5-10)16-12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2.
What are the key properties of (4-chlorophenyl) piperidine-1-carboxylate?
(4-chlorophenyl) piperidine-1-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) piperidine-1-carboxylate is sourced from PubChem (CID 726748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).