1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane

C16H34N2O2 — CID 145241968

IUPAC1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane
SMILESCC(=O)N1CCC(O)(CN)CC1.CCCCC(C)(C)C
InChIInChI=1S/C8H16N2O2.C8H18/c1-7(11)10-4-2-8(12,6-9)3-5-10;1-5-6-7-8(2,3)4/h12H,2-6,9H2,1H3;5-7H2,1-4H3
InChIKeySMIGEHIBLDSERS-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.54
Rot. Bonds3

About 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane

1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane (PubChem CID 145241968) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane
PubChem CID145241968
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane
SMILESCC(=O)N1CCC(O)(CN)CC1.CCCCC(C)(C)C
InChIInChI=1S/C8H16N2O2.C8H18/c1-7(11)10-4-2-8(12,6-9)3-5-10;1-5-6-7-8(2,3)4/h12H,2-6,9H2,1H3;5-7H2,1-4H3
InChIKeySMIGEHIBLDSERS-UHFFFAOYSA-N
XLogP2.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
CID 145315746
1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 123601967
2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 145241983
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
azane;2,2-dimethylhexane
CID 161105081
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
1-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-2-methoxyethanone
CID 165462985
2,2-dimethylhexane;2-methylpropanoic acid
CID 159057066
1-[4-hydroxy-4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 39243445
1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758683

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane?
The IUPAC name of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane (CID 145241968) is 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane.
What is the SMILES notation for 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane?
The canonical SMILES for 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane is CC(=O)N1CCC(O)(CN)CC1.CCCCC(C)(C)C.
What is the InChIKey of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane?
The InChIKey is SMIGEHIBLDSERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C8H18/c1-7(11)10-4-2-8(12,6-9)3-5-10;1-5-6-7-8(2,3)4/h12H,2-6,9H2,1H3;5-7H2,1-4H3.
What are the key properties of 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane?
1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane has a molecular weight of 286.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]ethanone;2,2-dimethylhexane is sourced from PubChem (CID 145241968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).