[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol

C17H35N3O — CID 79647288

IUPAC[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3O/c1-5-8-18-17(14-21)7-6-15(13-17)19-9-11-20(12-10-19)16(2,3)4/h15,18,21H,5-14H2,1-4H3
InChIKeyFMEKKXPWHQMJII-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.69
Rot. Bonds5

About [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol

[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol (PubChem CID 79647288) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
PubChem CID79647288
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3O/c1-5-8-18-17(14-21)7-6-15(13-17)19-9-11-20(12-10-19)16(2,3)4/h15,18,21H,5-14H2,1-4H3
InChIKeyFMEKKXPWHQMJII-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methyl-1,4-diazepan-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79657020
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79635833
[3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79646989
[1-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79647005
[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[3-(3-methoxy-3-methylpiperidin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 107395960
[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol
CID 79647022
[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
CID 79634551
[3-(benzimidazol-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79647543
[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
CID 79647008
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol (CID 79647288) is [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(N2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is FMEKKXPWHQMJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-8-18-17(14-21)7-6-15(13-17)19-9-11-20(12-10-19)16(2,3)4/h15,18,21H,5-14H2,1-4H3.
What are the key properties of [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol?
[3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 297.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79647288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).