1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride

C14H25Cl2N3 — CID 119920848

IUPAC1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
SMILESCC(N)C1CCN(CCc2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C14H23N3.2ClH/c1-12(15)14-5-9-17(10-6-14)8-4-13-3-2-7-16-11-13;;/h2-3,7,11-12,14H,4-6,8-10,15H2,1H3;2*1H
InChIKeyYWXNYAHUONKHPC-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride

1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride (PubChem CID 119920848) has the molecular formula C14H25Cl2N3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
PubChem CID119920848
Molecular FormulaC14H25Cl2N3
Molecular Weight306.28 g/mol
Exact Mass305.14
IUPAC Name1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
SMILESCC(N)C1CCN(CCc2cccnc2)CC1.Cl.Cl
InChIInChI=1S/C14H23N3.2ClH/c1-12(15)14-5-9-17(10-6-14)8-4-13-3-2-7-16-11-13;;/h2-3,7,11-12,14H,4-6,8-10,15H2,1H3;2*1H
InChIKeyYWXNYAHUONKHPC-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride?
The IUPAC name of 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride (CID 119920848) is 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride is CC(N)C1CCN(CCc2cccnc2)CC1.Cl.Cl.
What is the InChIKey of 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride?
The InChIKey is YWXNYAHUONKHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.2ClH/c1-12(15)14-5-9-17(10-6-14)8-4-13-3-2-7-16-11-13;;/h2-3,7,11-12,14H,4-6,8-10,15H2,1H3;2*1H.
What are the key properties of 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride?
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride has a molecular weight of 306.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 119920848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).