[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol

C17H33N3O — CID 79635833

IUPAC[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H33N3O/c1-2-8-18-17(14-21)7-3-4-16(13-17)20-11-9-19(10-12-20)15-5-6-15/h15-16,18,21H,2-14H2,1H3
InChIKeyAGFFGHOUINERBO-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.44
Rot. Bonds6

About [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol

[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79635833) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
PubChem CID79635833
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H33N3O/c1-2-8-18-17(14-21)7-3-4-16(13-17)20-11-9-19(10-12-20)15-5-6-15/h15-16,18,21H,2-14H2,1H3
InChIKeyAGFFGHOUINERBO-UHFFFAOYSA-N
XLogP1.44
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79657020
[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
CID 79634551
[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647288
[1-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79647005
[3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79646989
[1-(ethylamino)-3-(4-methoxypiperidin-1-yl)cyclohexyl]methanol
CID 79640451
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641045
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
[3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79641286
[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 107395960
[3-indazol-1-yl-1-(propylamino)cyclohexyl]methanol
CID 79638462

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol (CID 79635833) is [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is AGFFGHOUINERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-8-18-17(14-21)7-3-4-16(13-17)20-11-9-19(10-12-20)15-5-6-15/h15-16,18,21H,2-14H2,1H3.
What are the key properties of [3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol?
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 295.47 g/mol, XLogP of 1.44, 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)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79635833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).