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

C11H17N3 — CID 82756317

IUPAC(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
SMILESC[C@H]1CNCCN1Cc1ccncc1
InChIInChI=1S/C11H17N3/c1-10-8-13-6-7-14(10)9-11-2-4-12-5-3-11/h2-5,10,13H,6-9H2,1H3/t10-/m0/s1
InChIKeyHDYGQUGTIIQNBN-JTQLQIEISA-N
MW191.28 g/mol
LogP0.88
Rot. Bonds2

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

(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 82756317) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID82756317
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
SMILESC[C@H]1CNCCN1Cc1ccncc1
InChIInChI=1S/C11H17N3/c1-10-8-13-6-7-14(10)9-11-2-4-12-5-3-11/h2-5,10,13H,6-9H2,1H3/t10-/m0/s1
InChIKeyHDYGQUGTIIQNBN-JTQLQIEISA-N
XLogP0.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82713118
(2R)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82714157
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934
1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride
CID 71639563
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
CID 130569472
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine (CID 82756317) is (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine is C[C@H]1CNCCN1Cc1ccncc1.
What is the InChIKey of (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is HDYGQUGTIIQNBN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3/c1-10-8-13-6-7-14(10)9-11-2-4-12-5-3-11/h2-5,10,13H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine?
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 191.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 82756317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).