5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one

C14H29N3O2 — CID 82689328

IUPAC5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H29N3O2/c1-12(10-15)4-5-13(18)17-8-6-16(7-9-17)11-14(2,3)19/h12,19H,4-11,15H2,1-3H3
InChIKeyAMEBBDUTWYXMEV-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.28
Rot. Bonds6

About 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one

5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 82689328) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
PubChem CID82689328
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C14H29N3O2/c1-12(10-15)4-5-13(18)17-8-6-16(7-9-17)11-14(2,3)19/h12,19H,4-11,15H2,1-3H3
InChIKeyAMEBBDUTWYXMEV-UHFFFAOYSA-N
XLogP0.28
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82683408
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
2-[4-(5-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetic acid
CID 82011803
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107030633
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
N-ethyl-4-(2-hydroxy-2-methylpropyl)-N-methylpiperazine-1-carboxamide
CID 79159489

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one (CID 82689328) is 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one?
The InChIKey is AMEBBDUTWYXMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(10-15)4-5-13(18)17-8-6-16(7-9-17)11-14(2,3)19/h12,19H,4-11,15H2,1-3H3.
What are the key properties of 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one?
5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 271.40 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 82689328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).