chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate

C16H25ClN2O2S — CID 20706309

IUPACchloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate
SMILESCC(Cc1ccccc1)N(C)CC1CCN(S(=O)OCl)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-14(12-15-6-4-3-5-7-15)18(2)13-16-8-10-19(11-9-16)22(20)21-17/h3-7,14,16H,8-13H2,1-2H3
InChIKeyXFWCZIYQBFTJQJ-UHFFFAOYSA-N
MW344.91 g/mol
LogP3.01
Rot. Bonds7

About chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate

chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate (PubChem CID 20706309) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate.

Molecular Properties

Compound Namechloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate
PubChem CID20706309
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Namechloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate
SMILESCC(Cc1ccccc1)N(C)CC1CCN(S(=O)OCl)CC1
InChIInChI=1S/C16H25ClN2O2S/c1-14(12-15-6-4-3-5-7-15)18(2)13-16-8-10-19(11-9-16)22(20)21-17/h3-7,14,16H,8-13H2,1-2H3
InChIKeyXFWCZIYQBFTJQJ-UHFFFAOYSA-N
XLogP3.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756
ethane;N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylpropan-2-amine;N-methyl-1-sulfonylmethanamine
CID 90743566
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
ethane;methane;N-methyl-1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenyl-N-[(1-phosphanylpiperidin-4-yl)methyl]propan-2-amine;1-phenylpropan-2-one;(1-phosphanylpiperidin-4-yl)methanamine
CID 158973227
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107026032
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N-(3-chloropropyl)-N-methyl-1-phenylpropan-2-amine
CID 110174057
(2R)-N-bromo-N-chloro-1-phenylpropan-2-amine
CID 90999480

Frequently Asked Questions

What is the IUPAC name of chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate?
The IUPAC name of chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate (CID 20706309) is chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate.
What is the SMILES notation for chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate?
The canonical SMILES for chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate is CC(Cc1ccccc1)N(C)CC1CCN(S(=O)OCl)CC1.
What is the InChIKey of chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate?
The InChIKey is XFWCZIYQBFTJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-14(12-15-6-4-3-5-7-15)18(2)13-16-8-10-19(11-9-16)22(20)21-17/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate?
chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate has a molecular weight of 344.91 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidine-1-sulfinate is sourced from PubChem (CID 20706309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).