2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride

C13H22ClN3 — CID 17245035

IUPAC2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C13H21N3.ClH/c14-6-3-12-4-8-16(9-5-12)11-13-2-1-7-15-10-13;/h1-2,7,10,12H,3-6,8-9,11,14H2;1H
InChIKeyMDMWIFJODBVASH-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride

2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 17245035) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
PubChem CID17245035
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C13H21N3.ClH/c14-6-3-12-4-8-16(9-5-12)11-13-2-1-7-15-10-13;/h1-2,7,10,12H,3-6,8-9,11,14H2;1H
InChIKeyMDMWIFJODBVASH-UHFFFAOYSA-N
XLogP2.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 86921160
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride (CID 17245035) is 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride is Cl.NCCC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is MDMWIFJODBVASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.ClH/c14-6-3-12-4-8-16(9-5-12)11-13-2-1-7-15-10-13;/h1-2,7,10,12H,3-6,8-9,11,14H2;1H.
What are the key properties of 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride?
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 17245035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).