[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate

C12H15ClN2O2 — CID 86319361

IUPAC[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
SMILESO=C(OC[C@@H]1CCCNC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-5-15-11(6-10)12(16)17-8-9-2-1-4-14-7-9/h3,5-6,9,14H,1-2,4,7-8H2/t9-/m1/s1
InChIKeyUTKLRUIYCNFSRV-SECBINFHSA-N
MW254.72 g/mol
LogP1.89
Rot. Bonds3

About [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate

[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate (PubChem CID 86319361) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
PubChem CID86319361
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
SMILESO=C(OC[C@@H]1CCCNC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-5-15-11(6-10)12(16)17-8-9-2-1-4-14-7-9/h3,5-6,9,14H,1-2,4,7-8H2/t9-/m1/s1
InChIKeyUTKLRUIYCNFSRV-SECBINFHSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319363
piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride
CID 53409799
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
cyclopropylmethyl 4-chloropyridine-2-carboxylate
CID 63840175
pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride
CID 56829440
piperidin-3-ylmethyl benzoate
CID 53409803
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
CID 150438541
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251

Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate?
The IUPAC name of [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate (CID 86319361) is [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate.
What is the SMILES notation for [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate?
The canonical SMILES for [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate is O=C(OC[C@@H]1CCCNC1)c1cc(Cl)ccn1.
What is the InChIKey of [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate?
The InChIKey is UTKLRUIYCNFSRV-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-3-5-15-11(6-10)12(16)17-8-9-2-1-4-14-7-9/h3,5-6,9,14H,1-2,4,7-8H2/t9-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate?
[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 86319361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).