2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol

C15H33N3O — CID 106809069

IUPAC2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1CCN(C)CC1)NC(C)C
InChIInChI=1S/C15H33N3O/c1-5-15(13-19,16-14(2)3)7-6-8-18-11-9-17(4)10-12-18/h14,16,19H,5-13H2,1-4H3
InChIKeyZZDIHOVCMZTTFT-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.15
Rot. Bonds8

About 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol

2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106809069) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106809069
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN1CCN(C)CC1)NC(C)C
InChIInChI=1S/C15H33N3O/c1-5-15(13-19,16-14(2)3)7-6-8-18-11-9-17(4)10-12-18/h14,16,19H,5-13H2,1-4H3
InChIKeyZZDIHOVCMZTTFT-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809760
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809748
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809954
2-ethyl-2-(ethylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 106809289
2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809903
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809193
2-amino-2-ethyl-5-(4-methylpiperazin-1-yl)pentan-1-ol
CID 106809070
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol (CID 106809069) is 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol is CCC(CO)(CCCN1CCN(C)CC1)NC(C)C.
What is the InChIKey of 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is ZZDIHOVCMZTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-15(13-19,16-14(2)3)7-6-8-18-11-9-17(4)10-12-18/h14,16,19H,5-13H2,1-4H3.
What are the key properties of 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 271.45 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106809069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).