2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol

C19H32N2O3S — CID 164906387

IUPAC2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol
SMILESCCCCN1CCNC(COc2ccc(S(=O)C(C)(C)CO)cc2)C1
InChIInChI=1S/C19H32N2O3S/c1-4-5-11-21-12-10-20-16(13-21)14-24-17-6-8-18(9-7-17)25(23)19(2,3)15-22/h6-9,16,20,22H,4-5,10-15H2,1-3H3
InChIKeyMRDWBVDQRHFLCB-UHFFFAOYSA-N
MW368.54 g/mol
LogP2.02
Rot. Bonds9

About 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol

2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol (PubChem CID 164906387) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol
PubChem CID164906387
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol
SMILESCCCCN1CCNC(COc2ccc(S(=O)C(C)(C)CO)cc2)C1
InChIInChI=1S/C19H32N2O3S/c1-4-5-11-21-12-10-20-16(13-21)14-24-17-6-8-18(9-7-17)25(23)19(2,3)15-22/h6-9,16,20,22H,4-5,10-15H2,1-3H3
InChIKeyMRDWBVDQRHFLCB-UHFFFAOYSA-N
XLogP2.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol;ethane
CID 164906386
1-butyl-3-[[4-(1-methylsulfanylethyl)phenoxy]methyl]piperazine
CID 172620509
3-[[4-(azetidin-3-ylsulfinyl)phenoxy]methyl]-1-propylpiperazine;ethane
CID 172620532
1-[3-[4-[[4-(3-methylbutyl)piperazin-2-yl]methoxy]phenyl]sulfonylazetidin-1-yl]ethanone
CID 172620293
(4-butylpiperazin-2-yl)methanamine
CID 117026802
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
CID 64832801
3-ethyl-1-pentylpiperazine
CID 64832988
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
(3S)-1-[2-(3-chlorophenyl)ethyl]-3-[[4-[(1R)-1-methylsulfonylethyl]phenoxy]methyl]piperazine
CID 172620461
(3S)-1-[2-(3-chlorophenyl)ethyl]-3-[[4-[(1S)-1-methylsulfonylethyl]phenoxy]methyl]piperazine
CID 172620403
3-benzyl-1-octylpiperazine
CID 64833102
1-hexyl-3-(2-methylpropyl)piperazine
CID 64834623

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol?
The IUPAC name of 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol (CID 164906387) is 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol is CCCCN1CCNC(COc2ccc(S(=O)C(C)(C)CO)cc2)C1.
What is the InChIKey of 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol?
The InChIKey is MRDWBVDQRHFLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-4-5-11-21-12-10-20-16(13-21)14-24-17-6-8-18(9-7-17)25(23)19(2,3)15-22/h6-9,16,20,22H,4-5,10-15H2,1-3H3.
What are the key properties of 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol?
2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol has a molecular weight of 368.54 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-butylpiperazin-2-yl)methoxy]phenyl]sulfinyl-2-methylpropan-1-ol is sourced from PubChem (CID 164906387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).