(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine

C15H29N3O2S — CID 97039646

IUPAC(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine
SMILESC[C@@H]1CN(C)CCN1CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H29N3O2S/c1-13-11-16(2)9-10-17(13)12-14-5-7-18(8-6-14)21(19,20)15-3-4-15/h13-15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyKZVVSPWTOQDSLH-CYBMUJFWSA-N
MW315.48 g/mol
LogP0.83
Rot. Bonds4

About (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine

(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine (PubChem CID 97039646) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine
PubChem CID97039646
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine
SMILESC[C@@H]1CN(C)CCN1CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H29N3O2S/c1-13-11-16(2)9-10-17(13)12-14-5-7-18(8-6-14)21(19,20)15-3-4-15/h13-15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyKZVVSPWTOQDSLH-CYBMUJFWSA-N
XLogP0.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
1-cyclopropylsulfonyl-4-methylpiperazine
CID 59576558
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784735
[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 71784741
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
(1-cyclopropylsulfonylpiperidin-4-yl)methyl methanesulfonate
CID 135173319
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 97039658
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 71784766
1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97039635

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine?
The IUPAC name of (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine (CID 97039646) is (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine.
What is the SMILES notation for (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine?
The canonical SMILES for (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine is C[C@@H]1CN(C)CCN1CC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine?
The InChIKey is KZVVSPWTOQDSLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-13-11-16(2)9-10-17(13)12-14-5-7-18(8-6-14)21(19,20)15-3-4-15/h13-15H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine?
(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine has a molecular weight of 315.48 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine is sourced from PubChem (CID 97039646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).