1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine

C16H32N4O2S — CID 95304459

IUPAC1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine
SMILESCN1CCCC[C@H]1CN1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H32N4O2S/c1-17-8-6-3-7-16(17)15-18-11-13-20(14-12-18)23(21,22)19-9-4-2-5-10-19/h16H,2-15H2,1H3/t16-/m0/s1
InChIKeyMOCFVJGQRZVBSV-INIZCTEOSA-N
MW344.53 g/mol
LogP0.82
Rot. Bonds4

About 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine

1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine (PubChem CID 95304459) has the molecular formula C16H32N4O2S and a molecular weight of 344.53 g/mol. Its IUPAC name is 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine
PubChem CID95304459
Molecular FormulaC16H32N4O2S
Molecular Weight344.53 g/mol
Exact Mass344.22
IUPAC Name1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine
SMILESCN1CCCC[C@H]1CN1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H32N4O2S/c1-17-8-6-3-7-16(17)15-18-11-13-20(14-12-18)23(21,22)19-9-4-2-5-10-19/h16H,2-15H2,1H3/t16-/m0/s1
InChIKeyMOCFVJGQRZVBSV-INIZCTEOSA-N
XLogP0.82
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-ethyl-1-methylpiperidine
CID 67552955
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CID 176961547
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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine (CID 95304459) is 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine is CN1CCCC[C@H]1CN1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine?
The InChIKey is MOCFVJGQRZVBSV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H32N4O2S/c1-17-8-6-3-7-16(17)15-18-11-13-20(14-12-18)23(21,22)19-9-4-2-5-10-19/h16H,2-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine?
1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine has a molecular weight of 344.53 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-methylpiperidin-2-yl]methyl]-4-piperidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 95304459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).