1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone

C14H22N4O — CID 124502071

IUPAC1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C)c([C@H](C)N)cn2)CC1
InChIInChI=1S/C14H22N4O/c1-10-8-14(16-9-13(10)11(2)15)18-6-4-17(5-7-18)12(3)19/h8-9,11H,4-7,15H2,1-3H3/t11-/m0/s1
InChIKeyMKPYWRRWBWZKOC-NSHDSACASA-N
MW262.36 g/mol
LogP1.08
Rot. Bonds2

About 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 124502071) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID124502071
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C)c([C@H](C)N)cn2)CC1
InChIInChI=1S/C14H22N4O/c1-10-8-14(16-9-13(10)11(2)15)18-6-4-17(5-7-18)12(3)19/h8-9,11H,4-7,15H2,1-3H3/t11-/m0/s1
InChIKeyMKPYWRRWBWZKOC-NSHDSACASA-N
XLogP1.08
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)ethanamine
CID 124501941
(1R)-1-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanamine
CID 124501966
1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502067
1-[4-(5-amino-4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 79176493
1-[4-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 102545701
6-(4-acetylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340398
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
tert-butyl 4-[5-(1-hydroxypropyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 102545634
(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine
CID 129078090
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 124503003
2-methylpropyl 4-(5-bromo-4-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 133447740

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone (CID 124502071) is 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C)c([C@H](C)N)cn2)CC1.
What is the InChIKey of 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is MKPYWRRWBWZKOC-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-14(16-9-13(10)11(2)15)18-6-4-17(5-7-18)12(3)19/h8-9,11H,4-7,15H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124502071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).