[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate

C15H22ClN3O2 — CID 174550196

IUPAC[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-15(2,3)18-14(20)21-12-6-8-19(9-7-12)11-4-5-13(16)17-10-11/h4-5,10,12H,6-9H2,1-3H3,(H,18,20)
InChIKeyZSXCSCRFMXCFLM-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.23
Rot. Bonds2

About [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate

[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 174550196) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
PubChem CID174550196
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H22ClN3O2/c1-15(2,3)18-14(20)21-12-6-8-19(9-7-12)11-4-5-13(16)17-10-11/h4-5,10,12H,6-9H2,1-3H3,(H,18,20)
InChIKeyZSXCSCRFMXCFLM-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.23
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-(2-chloropyrimidin-4-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174432844
[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174721533
[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174973716
[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 123305693
[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174640244
[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 91338910
[1-(4-bromo-2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 170167231
[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174908487
[1-(4-methylphenyl)piperidin-4-yl] N-(5-methyl-2-pyridinyl)carbamate
CID 161060422
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
CID 174424226
2-chloro-5-pyrrolidin-1-ylpyridine
CID 82225005

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate (CID 174550196) is [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2ccc(Cl)nc2)CC1.
What is the InChIKey of [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is ZSXCSCRFMXCFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-15(2,3)18-14(20)21-12-6-8-19(9-7-12)11-4-5-13(16)17-10-11/h4-5,10,12H,6-9H2,1-3H3,(H,18,20).
What are the key properties of [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate?
[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 311.81 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174550196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).