1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol

C21H34N2O2 — CID 110898544

IUPAC1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C21H34N2O2/c1-17(2)20-7-3-4-8-21(20)25-16-19(24)15-22-13-9-18(10-14-22)23-11-5-6-12-23/h3-4,7-8,17-19,24H,5-6,9-16H2,1-2H3
InChIKeyNLRAOBPFUHOYBY-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.11
Rot. Bonds7

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

1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol (PubChem CID 110898544) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
PubChem CID110898544
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC Name1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C21H34N2O2/c1-17(2)20-7-3-4-8-21(20)25-16-19(24)15-22-13-9-18(10-14-22)23-11-5-6-12-23/h3-4,7-8,17-19,24H,5-6,9-16H2,1-2H3
InChIKeyNLRAOBPFUHOYBY-UHFFFAOYSA-N
XLogP3.11
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
(2S)-1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 124738429
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4877000
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165
cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
CID 2535934
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxylate
CID 51680135
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4880725
(8aS)-2-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 52541592
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol (CID 110898544) is 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol is CC(C)c1ccccc1OCC(O)CN1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
The InChIKey is NLRAOBPFUHOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-17(2)20-7-3-4-8-21(20)25-16-19(24)15-22-13-9-18(10-14-22)23-11-5-6-12-23/h3-4,7-8,17-19,24H,5-6,9-16H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol?
1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol has a molecular weight of 346.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110898544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).