1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol

C21H34N2O2 — CID 110887797

IUPAC1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C21H34N2O2/c1-16-8-9-17(2)21(18(16)3)25-15-20(24)14-22-10-12-23(13-11-22)19-6-4-5-7-19/h8-9,19-20,24H,4-7,10-15H2,1-3H3
InChIKeyGMFIVJWMZVSXJY-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.91
Rot. Bonds6

About 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol

1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol (PubChem CID 110887797) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
PubChem CID110887797
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C21H34N2O2/c1-16-8-9-17(2)21(18(16)3)25-15-20(24)14-22-10-12-23(13-11-22)19-6-4-5-7-19/h8-9,19-20,24H,4-7,10-15H2,1-3H3
InChIKeyGMFIVJWMZVSXJY-UHFFFAOYSA-N
XLogP2.91
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 97005567
(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7155116
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-(2,6-dichlorophenoxy)propan-2-ol
CID 97010622
(2S)-1-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 124795003
1-[4-[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]phenyl]ethanone
CID 18081701
2-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 47015597
1-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 75402215
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 166224802
1-(1,2,4-triazol-4-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110877250

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol (CID 110887797) is 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OCC(O)CN2CCN(C3CCCC3)CC2)c1C.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The InChIKey is GMFIVJWMZVSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16-8-9-17(2)21(18(16)3)25-15-20(24)14-22-10-12-23(13-11-22)19-6-4-5-7-19/h8-9,19-20,24H,4-7,10-15H2,1-3H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol has a molecular weight of 346.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 110887797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).