(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine

C12H19N3 — CID 82713118

IUPAC(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
SMILESC[C@H]1CNCCN1CCc1ccncc1
InChIInChI=1S/C12H19N3/c1-11-10-14-7-9-15(11)8-4-12-2-5-13-6-3-12/h2-3,5-6,11,14H,4,7-10H2,1H3/t11-/m0/s1
InChIKeyQWHKSINKABSXNX-NSHDSACASA-N
MW205.31 g/mol
LogP0.92
Rot. Bonds3

About (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine

(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine (PubChem CID 82713118) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
PubChem CID82713118
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
SMILESC[C@H]1CNCCN1CCc1ccncc1
InChIInChI=1S/C12H19N3/c1-11-10-14-7-9-15(11)8-4-12-2-5-13-6-3-12/h2-3,5-6,11,14H,4,7-10H2,1H3/t11-/m0/s1
InChIKeyQWHKSINKABSXNX-NSHDSACASA-N
XLogP0.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82714157
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine
CID 82298365
8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64933810
1-(2-imidazol-1-ylethyl)-2-methylpiperazine
CID 62672995
5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408735
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
1-[2-(2-methoxyphenyl)ethyl]-2-methylpiperazine
CID 82083206
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
(2R)-2-methyl-1-[3-(4-nitrophenyl)propyl]piperazine
CID 170459835
1-[2-(cyclopenten-1-yl)ethyl]-2-methylpiperazine
CID 106172733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine (CID 82713118) is (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine is C[C@H]1CNCCN1CCc1ccncc1.
What is the InChIKey of (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine?
The InChIKey is QWHKSINKABSXNX-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3/c1-11-10-14-7-9-15(11)8-4-12-2-5-13-6-3-12/h2-3,5-6,11,14H,4,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine?
(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine has a molecular weight of 205.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 82713118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).