1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride

C12H26ClN3O2S — CID 119908997

IUPAC1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCCC(CN2CCC(N)CC2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-18(16,17)15-6-2-3-11(10-15)9-14-7-4-12(13)5-8-14;/h11-12H,2-10,13H2,1H3;1H
InChIKeyHLJBBJQQWYQQGP-UHFFFAOYSA-N
MW311.88 g/mol
LogP0.50
Rot. Bonds3

About 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride

1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119908997) has the molecular formula C12H26ClN3O2S and a molecular weight of 311.88 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119908997
Molecular FormulaC12H26ClN3O2S
Molecular Weight311.88 g/mol
Exact Mass311.14
IUPAC Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCCC(CN2CCC(N)CC2)C1.Cl
InChIInChI=1S/C12H25N3O2S.ClH/c1-18(16,17)15-6-2-3-11(10-15)9-14-7-4-12(13)5-8-14;/h11-12H,2-10,13H2,1H3;1H
InChIKeyHLJBBJQQWYQQGP-UHFFFAOYSA-N
XLogP0.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309
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-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
1-(azetidin-3-yl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79612100
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidine-3-carboxylic acid
CID 79612897
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride (CID 119908997) is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride is CS(=O)(=O)N1CCCC(CN2CCC(N)CC2)C1.Cl.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is HLJBBJQQWYQQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S.ClH/c1-18(16,17)15-6-2-3-11(10-15)9-14-7-4-12(13)5-8-14;/h11-12H,2-10,13H2,1H3;1H.
What are the key properties of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 311.88 g/mol, XLogP of 0.50, 3 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]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119908997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).