6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one

C13H26N2O2 — CID 140837339

IUPAC6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILES[2H]CC1(CO)CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C13H26N2O2/c1-13(11-16)6-9-15(10-7-13)12(17)5-3-2-4-8-14/h16H,2-11,14H2,1H3/i1D
InChIKeyQHJNEJHPKRTAHP-MICDWDOJSA-N
MW243.37 g/mol
LogP1.13
Rot. Bonds7

About 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one

6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one (PubChem CID 140837339) has the molecular formula C13H26N2O2 and a molecular weight of 243.37 g/mol. Its IUPAC name is 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
PubChem CID140837339
Molecular FormulaC13H26N2O2
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
SMILES[2H]CC1(CO)CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C13H26N2O2/c1-13(11-16)6-9-15(10-7-13)12(17)5-3-2-4-8-14/h16H,2-11,14H2,1H3/i1D
InChIKeyQHJNEJHPKRTAHP-MICDWDOJSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4,4-bis(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168397
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
CID 134168398
N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168401
(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
CID 144600505
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(methoxymethyl)piperidin-1-yl]-6-oxohexyl]acetamide
CID 145444585
[4-(Hydroxymethyl)-1-[6-[(2,2,2-trifluoroacetyl)amino]hexanoyl]piperidin-4-yl]methyl hypoiodite
CID 155088835
N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]acetamide
CID 53721679
1-(4-(Hydroxymethyl)piperidin-1-yl)-3,3-dimethylbutan-1-one
CID 58394519
4-Hydroxy-1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]butan-1-one
CID 58959864
1-(4,4-Dimethylpiperidin-1-yl)-4-hydroxybutan-1-one
CID 58959866
3-[4-(Hydroxymethyl)-4-methylpiperidin-1-yl]-3-oxopropanamide
CID 58959893
N-(4-hydroxybutyl)-1-methanidylpiperidin-1-ium-4-carboxamide
CID 59324780

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one (CID 140837339) is 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one is [2H]CC1(CO)CCN(C(=O)CCCCCN)CC1.
What is the InChIKey of 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is QHJNEJHPKRTAHP-MICDWDOJSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(11-16)6-9-15(10-7-13)12(17)5-3-2-4-8-14/h16H,2-11,14H2,1H3/i1D.
What are the key properties of 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one?
6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 243.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[4-(deuteriomethyl)-4-(hydroxymethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 140837339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).