2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride

C13H22ClN3 — CID 22064868

IUPAC2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCc1ccnc(N2CCC(CCN)CC2)c1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-11-3-7-15-13(10-11)16-8-4-12(2-6-14)5-9-16;/h3,7,10,12H,2,4-6,8-9,14H2,1H3;1H
InChIKeyJOQVSLMACDXDLE-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.38
Rot. Bonds3

About 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride

2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 22064868) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
PubChem CID22064868
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCc1ccnc(N2CCC(CCN)CC2)c1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-11-3-7-15-13(10-11)16-8-4-12(2-6-14)5-9-16;/h3,7,10,12H,2,4-6,8-9,14H2,1H3;1H
InChIKeyJOQVSLMACDXDLE-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
N-methylmethanimine;1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 143465241
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052
2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
CID 171993927
3-methyl-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 79868133
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701061

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride (CID 22064868) is 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride is Cc1ccnc(N2CCC(CCN)CC2)c1.Cl.
What is the InChIKey of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is JOQVSLMACDXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.ClH/c1-11-3-7-15-13(10-11)16-8-4-12(2-6-14)5-9-16;/h3,7,10,12H,2,4-6,8-9,14H2,1H3;1H.
What are the key properties of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride?
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 22064868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).