[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride

C14H30ClN3O2S — CID 119926264

IUPAC[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(CC2CCCN(S(C)(=O)=O)C2)C1CN.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-12-5-3-7-16(14(12)9-15)10-13-6-4-8-17(11-13)20(2,18)19;/h12-14H,3-11,15H2,1-2H3;1H
InChIKeyYCTBFEPNYVDLFK-UHFFFAOYSA-N
MW339.93 g/mol
LogP1.14
Rot. Bonds4

About [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride

[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119926264) has the molecular formula C14H30ClN3O2S and a molecular weight of 339.93 g/mol. Its IUPAC name is [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119926264
Molecular FormulaC14H30ClN3O2S
Molecular Weight339.93 g/mol
Exact Mass339.17
IUPAC Name[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(CC2CCCN(S(C)(=O)=O)C2)C1CN.Cl
InChIInChI=1S/C14H29N3O2S.ClH/c1-12-5-3-7-16(14(12)9-15)10-13-6-4-8-17(11-13)20(2,18)19;/h12-14H,3-11,15H2,1-2H3;1H
InChIKeyYCTBFEPNYVDLFK-UHFFFAOYSA-N
XLogP1.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.93
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
3-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 80676287
7-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane
CID 79622838
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 104575650
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
CID 79610693
(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 82713447
(3R)-3-[[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 129422437
5-(aminomethyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594219

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 119926264) is [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is CC1CCCN(CC2CCCN(S(C)(=O)=O)C2)C1CN.Cl.
What is the InChIKey of [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is YCTBFEPNYVDLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S.ClH/c1-12-5-3-7-16(14(12)9-15)10-13-6-4-8-17(11-13)20(2,18)19;/h12-14H,3-11,15H2,1-2H3;1H.
What are the key properties of [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 339.93 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119926264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).