(2S)-2-methyl-1-pyridin-4-ylpiperazine

C10H15N3 — CID 94546152

IUPAC(2S)-2-methyl-1-pyridin-4-ylpiperazine
SMILESC[C@H]1CNCCN1c1ccncc1
InChIInChI=1S/C10H15N3/c1-9-8-12-6-7-13(9)10-2-4-11-5-3-10/h2-5,9,12H,6-8H2,1H3/t9-/m0/s1
InChIKeyRSIPSWGUYVEEBC-VIFPVBQESA-N
MW177.25 g/mol
LogP0.88
Rot. Bonds1

About (2S)-2-methyl-1-pyridin-4-ylpiperazine

(2S)-2-methyl-1-pyridin-4-ylpiperazine (PubChem CID 94546152) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-2-methyl-1-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-pyridin-4-ylpiperazine
PubChem CID94546152
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(2S)-2-methyl-1-pyridin-4-ylpiperazine
SMILESC[C@H]1CNCCN1c1ccncc1
InChIInChI=1S/C10H15N3/c1-9-8-12-6-7-13(9)10-2-4-11-5-3-10/h2-5,9,12H,6-8H2,1H3/t9-/m0/s1
InChIKeyRSIPSWGUYVEEBC-VIFPVBQESA-N
XLogP0.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 69041767
4-[(2S)-2-methylpiperazin-1-yl]benzonitrile
CID 94546154
2-methyl-1-(4-piperidin-1-ylphenyl)piperazine
CID 64931724
(2S)-2-methyl-1-phenyl-1,4-diazocane
CID 124706685
2,5-dimethyl-1-pyridin-4-ylpiperazine
CID 64983891
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
2-methyl-1-[4-(trifluoromethylsulfonyl)phenyl]piperazine
CID 62674069
1-(9H-fluoren-2-yl)-2-methylpiperazine
CID 64938039
1-[4-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
CID 62672666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-pyridin-4-ylpiperazine?
The IUPAC name of (2S)-2-methyl-1-pyridin-4-ylpiperazine (CID 94546152) is (2S)-2-methyl-1-pyridin-4-ylpiperazine.
What is the SMILES notation for (2S)-2-methyl-1-pyridin-4-ylpiperazine?
The canonical SMILES for (2S)-2-methyl-1-pyridin-4-ylpiperazine is C[C@H]1CNCCN1c1ccncc1.
What is the InChIKey of (2S)-2-methyl-1-pyridin-4-ylpiperazine?
The InChIKey is RSIPSWGUYVEEBC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3/c1-9-8-12-6-7-13(9)10-2-4-11-5-3-10/h2-5,9,12H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-pyridin-4-ylpiperazine?
(2S)-2-methyl-1-pyridin-4-ylpiperazine has a molecular weight of 177.25 g/mol, XLogP of 0.88, 1 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-ylpiperazine is sourced from PubChem (CID 94546152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).