1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine

C17H26N2O2S — CID 110708725

IUPAC1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
SMILESO=S(=O)(CCCc1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,14-4-7-16-5-2-1-3-6-16)19-12-10-18(11-13-19)15-17-8-9-17/h1-3,5-6,17H,4,7-15H2
InChIKeyNWSMJTBQYDGAAW-UHFFFAOYSA-N
MW322.47 g/mol
LogP1.98
Rot. Bonds7

About 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine

1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine (PubChem CID 110708725) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
PubChem CID110708725
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
SMILESO=S(=O)(CCCc1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H26N2O2S/c20-22(21,14-4-7-16-5-2-1-3-6-16)19-12-10-18(11-13-19)15-17-8-9-17/h1-3,5-6,17H,4,7-15H2
InChIKeyNWSMJTBQYDGAAW-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
1-(3-phenylpropylsulfonyl)-4-propan-2-yloxypiperidine
CID 110725489
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
5-methyl-3-[[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 110646440
2-[[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylmethyl]aniline
CID 62019983
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
1-(2-ethoxyphenyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 113077400
1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 7026506
[4-(3-phenylpropylsulfonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110364704

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine (CID 110708725) is 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine is O=S(=O)(CCCc1ccccc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine?
The InChIKey is NWSMJTBQYDGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,14-4-7-16-5-2-1-3-6-16)19-12-10-18(11-13-19)15-17-8-9-17/h1-3,5-6,17H,4,7-15H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine?
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine has a molecular weight of 322.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine is sourced from PubChem (CID 110708725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).