4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine

C14H23ClN4 — CID 107055363

IUPAC4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
SMILESCCN1CCC(N(C)c2nccc(CN)c2Cl)CC1
InChIInChI=1S/C14H23ClN4/c1-3-19-8-5-12(6-9-19)18(2)14-13(15)11(10-16)4-7-17-14/h4,7,12H,3,5-6,8-10,16H2,1-2H3
InChIKeyIDSXRAGQQMXNHI-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.11
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine (PubChem CID 107055363) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
PubChem CID107055363
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
SMILESCCN1CCC(N(C)c2nccc(CN)c2Cl)CC1
InChIInChI=1S/C14H23ClN4/c1-3-19-8-5-12(6-9-19)18(2)14-13(15)11(10-16)4-7-17-14/h4,7,12H,3,5-6,8-10,16H2,1-2H3
InChIKeyIDSXRAGQQMXNHI-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridin-2-amine
CID 105389498
3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
CID 107055209
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 107055221
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 107055569
2-(chloromethyl)-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-4-amine
CID 55002534
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63887860
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 54947942
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
[4-[(1-ethylpiperidin-4-yl)-methylamino]-2-pyridinyl]methanol
CID 55003019

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine (CID 107055363) is 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine is CCN1CCC(N(C)c2nccc(CN)c2Cl)CC1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
The InChIKey is IDSXRAGQQMXNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-3-19-8-5-12(6-9-19)18(2)14-13(15)11(10-16)4-7-17-14/h4,7,12H,3,5-6,8-10,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine has a molecular weight of 282.82 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 107055363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).