3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride

C16H25Cl2N3 — CID 120849162

IUPAC3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
SMILESCl.Clc1cccnc1C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H24ClN3.ClH/c17-15-4-2-8-19-16(15)14-5-9-20(10-6-14)12-13-3-1-7-18-11-13;/h2,4,8,13-14,18H,1,3,5-7,9-12H2;1H
InChIKeyWTJLFOKGWKERNL-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.34
Rot. Bonds3

About 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride

3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride (PubChem CID 120849162) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
PubChem CID120849162
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC Name3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
SMILESCl.Clc1cccnc1C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H24ClN3.ClH/c17-15-4-2-8-19-16(15)14-5-9-20(10-6-14)12-13-3-1-7-18-11-13;/h2,4,8,13-14,18H,1,3,5-7,9-12H2;1H
InChIKeyWTJLFOKGWKERNL-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride
CID 120849907
3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 120849820
1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
CID 120847588
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667
(2,3-dichlorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930219
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
CID 56898536
2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223883
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride?
The IUPAC name of 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride (CID 120849162) is 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride.
What is the SMILES notation for 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride?
The canonical SMILES for 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride is Cl.Clc1cccnc1C1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride?
The InChIKey is WTJLFOKGWKERNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3.ClH/c17-15-4-2-8-19-16(15)14-5-9-20(10-6-14)12-13-3-1-7-18-11-13;/h2,4,8,13-14,18H,1,3,5-7,9-12H2;1H.
What are the key properties of 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride?
3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride has a molecular weight of 330.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride is sourced from PubChem (CID 120849162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).