3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

C17H27N3O — CID 64827049

IUPAC3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-18-17(14-21,15-5-3-2-4-6-15)13-19-9-11-20(12-10-19)16-7-8-16/h2-6,16,18,21H,7-14H2,1H3
InChIKeyYHXZRVTVIMYTBJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.87
Rot. Bonds6

About 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64827049) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64827049
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-18-17(14-21,15-5-3-2-4-6-15)13-19-9-11-20(12-10-19)16-7-8-16/h2-6,16,18,21H,7-14H2,1H3
InChIKeyYHXZRVTVIMYTBJ-UHFFFAOYSA-N
XLogP0.87
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
CID 64796768
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
CID 64790992
2-amino-3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropan-1-ol
CID 64826847
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
2-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695306
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695614
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
CID 104961356
2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
CID 64811940
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (CID 64827049) is 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(CN1CCN(C2CC2)CC1)c1ccccc1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is YHXZRVTVIMYTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-17(14-21,15-5-3-2-4-6-15)13-19-9-11-20(12-10-19)16-7-8-16/h2-6,16,18,21H,7-14H2,1H3.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64827049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).