1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine

C16H33N3O2S — CID 69355171

IUPAC1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine
SMILESCC1CCN(CCCS(=O)(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H33N3O2S/c1-15(2)18-10-12-19(13-11-18)22(20,21)14-4-7-17-8-5-16(3)6-9-17/h15-16H,4-14H2,1-3H3
InChIKeyAYHFNMQDNBSXAL-UHFFFAOYSA-N
MW331.53 g/mol
LogP1.46
Rot. Bonds6

About 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine

1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine (PubChem CID 69355171) has the molecular formula C16H33N3O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine
PubChem CID69355171
Molecular FormulaC16H33N3O2S
Molecular Weight331.53 g/mol
Exact Mass331.23
IUPAC Name1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine
SMILESCC1CCN(CCCS(=O)(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H33N3O2S/c1-15(2)18-10-12-19(13-11-18)22(20,21)14-4-7-17-8-5-16(3)6-9-17/h15-16H,4-14H2,1-3H3
InChIKeyAYHFNMQDNBSXAL-UHFFFAOYSA-N
XLogP1.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
CID 69356286
1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
CID 141053770
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine
CID 176982806
1-(2-chloroethylsulfonyl)-4-methylpiperidine
CID 60722884
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-2,3-dihydroindole
CID 22058070

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine (CID 69355171) is 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine is CC1CCN(CCCS(=O)(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine?
The InChIKey is AYHFNMQDNBSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2S/c1-15(2)18-10-12-19(13-11-18)22(20,21)14-4-7-17-8-5-16(3)6-9-17/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine?
1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine has a molecular weight of 331.53 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)propylsulfonyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 69355171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).