3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol

C18H29NO2 — CID 117239253

IUPAC3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
SMILESCc1ccccc1OCC(CO)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H29NO2/c1-14(2)19-10-8-16(9-11-19)17(12-20)13-21-18-7-5-4-6-15(18)3/h4-7,14,16-17,20H,8-13H2,1-3H3
InChIKeyVZHIPKMEMGBEEH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.10
Rot. Bonds6

About 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol

3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol (PubChem CID 117239253) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
PubChem CID117239253
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
SMILESCc1ccccc1OCC(CO)C1CCN(C(C)C)CC1
InChIInChI=1S/C18H29NO2/c1-14(2)19-10-8-16(9-11-19)17(12-20)13-21-18-7-5-4-6-15(18)3/h4-7,14,16-17,20H,8-13H2,1-3H3
InChIKeyVZHIPKMEMGBEEH-UHFFFAOYSA-N
XLogP3.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237826
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
3-(2-methylphenoxy)-2-pyrrolidin-3-ylpropan-1-ol
CID 117237779
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237898
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol (CID 117239253) is 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol is Cc1ccccc1OCC(CO)C1CCN(C(C)C)CC1.
What is the InChIKey of 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
The InChIKey is VZHIPKMEMGBEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)19-10-8-16(9-11-19)17(12-20)13-21-18-7-5-4-6-15(18)3/h4-7,14,16-17,20H,8-13H2,1-3H3.
What are the key properties of 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol?
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 117239253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).