6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one

C14H28N2O2 — CID 65290352

IUPAC6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H28N2O2/c1-11(5-3-6-12(2)15)14(18)16-8-4-7-13(9-16)10-17/h11-13,17H,3-10,15H2,1-2H3
InChIKeyGZFHQQJAYXHGKX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds6

About 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one

6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one (PubChem CID 65290352) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one.

Molecular Properties

Compound Name6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
PubChem CID65290352
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H28N2O2/c1-11(5-3-6-12(2)15)14(18)16-8-4-7-13(9-16)10-17/h11-13,17H,3-10,15H2,1-2H3
InChIKeyGZFHQQJAYXHGKX-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 107217037
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
(2S)-2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155100
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
1-[3-(hydroxymethyl)piperidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107023266
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
CID 114237000
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one?
The IUPAC name of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one (CID 65290352) is 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one.
What is the SMILES notation for 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one?
The canonical SMILES for 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one is CC(N)CCCC(C)C(=O)N1CCCC(CO)C1.
What is the InChIKey of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one?
The InChIKey is GZFHQQJAYXHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(5-3-6-12(2)15)14(18)16-8-4-7-13(9-16)10-17/h11-13,17H,3-10,15H2,1-2H3.
What are the key properties of 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one?
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one is sourced from PubChem (CID 65290352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).