1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol

C20H32N2O2 — CID 110898165

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C20H32N2O2/c1-16(2)19-5-3-4-6-20(19)24-15-18(23)14-22-11-9-21(10-12-22)13-17-7-8-17/h3-6,16-18,23H,7-15H2,1-2H3
InChIKeyBHWWGUZDFRZFBC-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.58
Rot. Bonds8

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol

1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 110898165) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID110898165
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C20H32N2O2/c1-16(2)19-5-3-4-6-20(19)24-15-18(23)14-22-11-9-21(10-12-22)13-17-7-8-17/h3-6,16-18,23H,7-15H2,1-2H3
InChIKeyBHWWGUZDFRZFBC-UHFFFAOYSA-N
XLogP2.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.58
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
cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
CID 2535934
1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898544
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
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-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4880725
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
(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
(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 7165470
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxylate
CID 51680135
1-(4-ethylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol;dihydrochloride
CID 16807106

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 110898165) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccccc1OCC(O)CN1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is BHWWGUZDFRZFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16(2)19-5-3-4-6-20(19)24-15-18(23)14-22-11-9-21(10-12-22)13-17-7-8-17/h3-6,16-18,23H,7-15H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 110898165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).