1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine

C14H29N3O2S — CID 79622837

IUPAC1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCCN(S(C)(=O)=O)C2)CCN1
InChIInChI=1S/C14H29N3O2S/c1-12(2)14-11-16(8-6-15-14)9-13-5-4-7-17(10-13)20(3,18)19/h12-15H,4-11H2,1-3H3
InChIKeyIFAYIUVEIGLMQG-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.59
Rot. Bonds4

About 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine

1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine (PubChem CID 79622837) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine
PubChem CID79622837
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCCN(S(C)(=O)=O)C2)CCN1
InChIInChI=1S/C14H29N3O2S/c1-12(2)14-11-16(8-6-15-14)9-13-5-4-7-17(10-13)20(3,18)19/h12-15H,4-11H2,1-3H3
InChIKeyIFAYIUVEIGLMQG-UHFFFAOYSA-N
XLogP0.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propyl-1,4-diazepane
CID 79620232
3-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838284
3-[[4-(1-chloroethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838056
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
1-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine (CID 79622837) is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine is CC(C)C1CN(CC2CCCN(S(C)(=O)=O)C2)CCN1.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine?
The InChIKey is IFAYIUVEIGLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12(2)14-11-16(8-6-15-14)9-13-5-4-7-17(10-13)20(3,18)19/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine?
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine has a molecular weight of 303.47 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propan-2-ylpiperazine is sourced from PubChem (CID 79622837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).