5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine

C17H26ClN3 — CID 133447371

IUPAC5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
SMILESCC1CCN(CC2CCCN(c3ccc(Cl)cn3)C2)CC1
InChIInChI=1S/C17H26ClN3/c1-14-6-9-20(10-7-14)12-15-3-2-8-21(13-15)17-5-4-16(18)11-19-17/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3
InChIKeyQSJACOSQILZGOU-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.68
Rot. Bonds3

About 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine

5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine (PubChem CID 133447371) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
PubChem CID133447371
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
SMILESCC1CCN(CC2CCCN(c3ccc(Cl)cn3)C2)CC1
InChIInChI=1S/C17H26ClN3/c1-14-6-9-20(10-7-14)12-15-3-2-8-21(13-15)17-5-4-16(18)11-19-17/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3
InChIKeyQSJACOSQILZGOU-UHFFFAOYSA-N
XLogP3.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine
CID 75374268
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 133447328
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
4-ethyl-2-[6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257680
5-(methylsulfanylmethyl)-2-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 96582044
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
5-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 171429390
2-(2-methylimidazol-1-yl)-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133447374
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
The IUPAC name of 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine (CID 133447371) is 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
The canonical SMILES for 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine is CC1CCN(CC2CCCN(c3ccc(Cl)cn3)C2)CC1.
What is the InChIKey of 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
The InChIKey is QSJACOSQILZGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-14-6-9-20(10-7-14)12-15-3-2-8-21(13-15)17-5-4-16(18)11-19-17/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3.
What are the key properties of 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine has a molecular weight of 307.87 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine is sourced from PubChem (CID 133447371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).