1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one

C14H28N2O — CID 175666657

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
SMILESCCCCCC(C)C(=O)N1CCC(CN)CC1
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-12(2)14(17)16-9-7-13(11-15)8-10-16/h12-13H,3-11,15H2,1-2H3
InChIKeySCTSRBSFRVSYCG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds6

About 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one

1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one (PubChem CID 175666657) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
PubChem CID175666657
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
SMILESCCCCCC(C)C(=O)N1CCC(CN)CC1
InChIInChI=1S/C14H28N2O/c1-3-4-5-6-12(2)14(17)16-9-7-13(11-15)8-10-16/h12-13H,3-11,15H2,1-2H3
InChIKeySCTSRBSFRVSYCG-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
1-[4-(aminomethyl)piperidin-1-yl]-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119423303
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
CID 122157670
1-[4-(1-bromoethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 106839235
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119422924
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119484101
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one (CID 175666657) is 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one is CCCCCC(C)C(=O)N1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one?
The InChIKey is SCTSRBSFRVSYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-5-6-12(2)14(17)16-9-7-13(11-15)8-10-16/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one?
1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one is sourced from PubChem (CID 175666657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).