methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate

C12H15ClN2O2 — CID 156502964

IUPACmethyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccc(Cl)nc2)CCNCC1
InChIInChI=1S/C12H15ClN2O2/c1-17-11(16)12(4-6-14-7-5-12)9-2-3-10(13)15-8-9/h2-3,8,14H,4-7H2,1H3
InChIKeyHADZHPMCUXTDGN-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.53
Rot. Bonds2

About methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate

methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate (PubChem CID 156502964) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate
PubChem CID156502964
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Namemethyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccc(Cl)nc2)CCNCC1
InChIInChI=1S/C12H15ClN2O2/c1-17-11(16)12(4-6-14-7-5-12)9-2-3-10(13)15-8-9/h2-3,8,14H,4-7H2,1H3
InChIKeyHADZHPMCUXTDGN-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 121376715
fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
CID 143493859
methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
CID 117062757
methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 169447954
methyl 3-(4-fluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 138990951
4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide
CID 156502181
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
ethyl 4-[6-(2-ethoxy-3-pyridinyl)-3-pyridinyl]piperidine-4-carboxylate
CID 156502327
methyl 4-amino-3,6-dichloro-6-(6-chloro-3-pyridinyl)-1H-pyridine-2-carboxylate
CID 175154960
methyl 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylate
CID 116964016
methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylate;hydrochloride
CID 172630249
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate (CID 156502964) is methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate is COC(=O)C1(c2ccc(Cl)nc2)CCNCC1.
What is the InChIKey of methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate?
The InChIKey is HADZHPMCUXTDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-11(16)12(4-6-14-7-5-12)9-2-3-10(13)15-8-9/h2-3,8,14H,4-7H2,1H3.
What are the key properties of methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate?
methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 156502964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).