(2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine

C20H30FN3O2S — CID 11699676

IUPAC(2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1[C@@H](c1cccc(F)c1)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C20H30FN3O2S/c1-15-14-22-9-12-24(15)20(17-3-2-4-18(21)13-17)16-7-10-23(11-8-16)27(25,26)19-5-6-19/h2-4,13,15-16,19-20,22H,5-12,14H2,1H3/t15-,20+/m0/s1
InChIKeyBPZNRFXYXLEVPR-MGPUTAFESA-N
MW395.54 g/mol
LogP2.36
Rot. Bonds5

About (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine

(2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine (PubChem CID 11699676) has the molecular formula C20H30FN3O2S and a molecular weight of 395.54 g/mol. Its IUPAC name is (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine
PubChem CID11699676
Molecular FormulaC20H30FN3O2S
Molecular Weight395.54 g/mol
Exact Mass395.20
IUPAC Name(2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@H]1CNCCN1[C@@H](c1cccc(F)c1)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C20H30FN3O2S/c1-15-14-22-9-12-24(15)20(17-3-2-4-18(21)13-17)16-7-10-23(11-8-16)27(25,26)19-5-6-19/h2-4,13,15-16,19-20,22H,5-12,14H2,1H3/t15-,20+/m0/s1
InChIKeyBPZNRFXYXLEVPR-MGPUTAFESA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(3-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylpiperazine
CID 70840285
1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
CID 64931500
(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 68931957
bromomethane;[4-[(3R)-4-[(S)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 11498592
[4-[(3S)-4-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 25000865
[4-[(3R)-4-[(S)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone;2-hydroxypropanoic acid
CID 11563906
butanedioic acid;[4-[(3R)-4-[(S)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 11714702
[4-[4-[(R)-(1-cyclopropylsulfonylpyrrolidin-3-yl)-(3-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 71105398
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 162512220
(3R)-3-(3-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propanal
CID 59780705

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine (CID 11699676) is (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine is C[C@H]1CNCCN1[C@@H](c1cccc(F)c1)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine?
The InChIKey is BPZNRFXYXLEVPR-MGPUTAFESA-N. The full InChI is InChI=1S/C20H30FN3O2S/c1-15-14-22-9-12-24(15)20(17-3-2-4-18(21)13-17)16-7-10-23(11-8-16)27(25,26)19-5-6-19/h2-4,13,15-16,19-20,22H,5-12,14H2,1H3/t15-,20+/m0/s1.
What are the key properties of (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine?
(2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine has a molecular weight of 395.54 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(R)-(1-cyclopropylsulfonylpiperidin-4-yl)-(3-fluorophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 11699676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).