(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone

C12H22N2O — CID 107002279

IUPAC(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1CC(N)CN(C(=O)C2CC2(C)C)C1
InChIInChI=1S/C12H22N2O/c1-8-4-9(13)7-14(6-8)11(15)10-5-12(10,2)3/h8-10H,4-7,13H2,1-3H3
InChIKeyNJFDPZCPDHHPLV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.23
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone

(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107002279) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107002279
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1CC(N)CN(C(=O)C2CC2(C)C)C1
InChIInChI=1S/C12H22N2O/c1-8-4-9(13)7-14(6-8)11(15)10-5-12(10,2)3/h8-10H,4-7,13H2,1-3H3
InChIKeyNJFDPZCPDHHPLV-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 104872314
(3-amino-5-methylpiperidin-1-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097099
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride
CID 86815216
1-(3-amino-5-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 79992618
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
3-amino-N-tert-butyl-5-methylpiperidine-1-carboxamide
CID 79994311
[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 130676353
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119379514
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
CID 79994442

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone (CID 107002279) is (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone is CC1CC(N)CN(C(=O)C2CC2(C)C)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is NJFDPZCPDHHPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-4-9(13)7-14(6-8)11(15)10-5-12(10,2)3/h8-10H,4-7,13H2,1-3H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107002279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).