(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine

C13H27N3 — CID 143708947

IUPAC(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine
SMILESC[C@H]1CNCCN1[C@@H](C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-11-10-14-6-9-16(11)12(2)13-4-7-15(3)8-5-13/h11-14H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyAVTXHXYAYMNQCI-RYUDHWBXSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds2

About (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine

(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine (PubChem CID 143708947) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine
PubChem CID143708947
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine
SMILESC[C@H]1CNCCN1[C@@H](C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-11-10-14-6-9-16(11)12(2)13-4-7-15(3)8-5-13/h11-14H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyAVTXHXYAYMNQCI-RYUDHWBXSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
(2R)-1-(1-cyclopropylpropan-2-yl)-2-methylpiperazine;hydrochloride
CID 130908546
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628
1-(1-cyclopentylethyl)-2-ethylpiperazine
CID 64932721
2-[(2R)-2-methylpiperazin-1-yl]propanenitrile
CID 82755717
(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
CID 130763014
2-(2-methylpiperazin-1-yl)butanoic acid
CID 64663395
2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
CID 82761791
3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine
CID 139460422
(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 68931957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine?
The IUPAC name of (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine (CID 143708947) is (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine is C[C@H]1CNCCN1[C@@H](C)C1CCN(C)CC1.
What is the InChIKey of (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine?
The InChIKey is AVTXHXYAYMNQCI-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-10-14-6-9-16(11)12(2)13-4-7-15(3)8-5-13/h11-14H,4-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine?
(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 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-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 143708947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).