3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine

C15H21ClN2O2 — CID 71977828

IUPAC3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine
SMILESClc1cnccc1N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C15H21ClN2O2/c16-14-11-17-6-1-15(14)18-7-2-12(3-8-18)20-13-4-9-19-10-5-13/h1,6,11-13H,2-5,7-10H2
InChIKeyXFAXRQNCXKJZRY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.90
Rot. Bonds3

About 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine

3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine (PubChem CID 71977828) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine
PubChem CID71977828
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine
SMILESClc1cnccc1N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C15H21ClN2O2/c16-14-11-17-6-1-15(14)18-7-2-12(3-8-18)20-13-4-9-19-10-5-13/h1,6,11-13H,2-5,7-10H2
InChIKeyXFAXRQNCXKJZRY-UHFFFAOYSA-N
XLogP2.90
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-(piperidin-1-yl)pyridine
CID 53217413
[4-(3-Chloro-4-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 71976877
8-(3-Chloro-4-pyridinyl)-2-oxa-8-azaspiro[5.5]undecane
CID 86769538
4-(3-Chloro-4-pyridinyl)-1,4-oxazepane
CID 118740651
8-(3-Chloro-4-pyridinyl)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 71924206
1-[(5-Chloro-2-pyridinyl)methyl]-4-(3-methoxypropyl)piperazine
CID 75503370
3-chloro-N-(3-morpholinopropyl)pyridin-4-amine
CID 79839380
4-[1-(3-Chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine
CID 84596182
4-(2-Chloro-3-fluoro-4-pyridinyl)morpholine
CID 162439764
4-[1-(2,3,5,6-Tetrachloro-4-pyridinyl)pyridin-1-ium-4-yl]morpholine
CID 86257000
N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridin-4-amine
CID 211582
N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine
CID 3042230

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine?
The IUPAC name of 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine (CID 71977828) is 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine?
The canonical SMILES for 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine is Clc1cnccc1N1CCC(OC2CCOCC2)CC1.
What is the InChIKey of 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine?
The InChIKey is XFAXRQNCXKJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-14-11-17-6-1-15(14)18-7-2-12(3-8-18)20-13-4-9-19-10-5-13/h1,6,11-13H,2-5,7-10H2.
What are the key properties of 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine?
3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine has a molecular weight of 296.80 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 71977828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).