(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane

C13H22N2S — CID 162106706

IUPAC(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
SMILESCN[C@@H]1CCCN(Cc2ccccc2)C1.S
InChIInChI=1S/C13H20N2.H2S/c1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H2/t13-;/m1./s1
InChIKeyZFPJOIYMDJAJSO-BTQNPOSSSA-N
MW238.40 g/mol
LogP1.98
Rot. Bonds3

About (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane

(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane (PubChem CID 162106706) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane.

Molecular Properties

Compound Name(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
PubChem CID162106706
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
SMILESCN[C@@H]1CCCN(Cc2ccccc2)C1.S
InChIInChI=1S/C13H20N2.H2S/c1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H2/t13-;/m1./s1
InChIKeyZFPJOIYMDJAJSO-BTQNPOSSSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-(3-methylcyclopentyl)piperidin-3-amine
CID 64592184
1-(furan-3-ylmethyl)-N-methylpiperidin-3-amine
CID 63208656
1-benzyl-3-methylpiperidine
CID 2794856
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane?
The IUPAC name of (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane (CID 162106706) is (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane.
What is the SMILES notation for (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane?
The canonical SMILES for (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane is CN[C@@H]1CCCN(Cc2ccccc2)C1.S.
What is the InChIKey of (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane?
The InChIKey is ZFPJOIYMDJAJSO-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H20N2.H2S/c1-14-13-8-5-9-15(11-13)10-12-6-3-2-4-7-12;/h2-4,6-7,13-14H,5,8-11H2,1H3;1H2/t13-;/m1./s1.
What are the key properties of (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane?
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane has a molecular weight of 238.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane is sourced from PubChem (CID 162106706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).