1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol

C18H29NO2 — CID 574512

IUPAC1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccc(OCC(O)CN2CCCCC2C)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)16-7-9-18(10-8-16)21-13-17(20)12-19-11-5-4-6-15(19)3/h7-10,14-15,17,20H,4-6,11-13H2,1-3H3
InChIKeyHADCLITXFGHGEQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds6

About 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol

1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 574512) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
PubChem CID574512
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccc(OCC(O)CN2CCCCC2C)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)16-7-9-18(10-8-16)21-13-17(20)12-19-11-5-4-6-15(19)3/h7-10,14-15,17,20H,4-6,11-13H2,1-3H3
InChIKeyHADCLITXFGHGEQ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-yl]propoxy]benzonitrile
CID 92983492
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065291
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
2-[4-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]acetonitrile
CID 100836371
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798587
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol (CID 574512) is 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccc(OCC(O)CN2CCCCC2C)cc1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is HADCLITXFGHGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)16-7-9-18(10-8-16)21-13-17(20)12-19-11-5-4-6-15(19)3/h7-10,14-15,17,20H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol?
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 574512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).