1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

C16H33N3O — CID 66335773

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-14(2)17-12-16(3,20)13-18-8-10-19(11-9-18)15-6-4-5-7-15/h14-15,17,20H,4-13H2,1-3H3
InChIKeyYMGGTKLAEDQFSC-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.30
Rot. Bonds6

About 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66335773) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID66335773
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3O/c1-14(2)17-12-16(3,20)13-18-8-10-19(11-9-18)15-6-4-5-7-15/h14-15,17,20H,4-13H2,1-3H3
InChIKeyYMGGTKLAEDQFSC-UHFFFAOYSA-N
XLogP1.30
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
2-methyl-1-(3-methylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 66335003
1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 113417212
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 113335634
3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788217
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 102725900
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-methyl-N-propan-2-ylpentan-1-amine
CID 79945461
2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 66336663
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62369813

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 66335773) is 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is YMGGTKLAEDQFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(2)17-12-16(3,20)13-18-8-10-19(11-9-18)15-6-4-5-7-15/h14-15,17,20H,4-13H2,1-3H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66335773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).