(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

C12H23N3O — CID 82237534

IUPAC(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)C2CC2N)CC1
InChIInChI=1S/C12H23N3O/c1-14(2)8-9-3-5-15(6-4-9)12(16)10-7-11(10)13/h9-11H,3-8,13H2,1-2H3
InChIKeyQXRJROBSSVFUCX-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.13
Rot. Bonds3

About (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 82237534) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID82237534
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCN(C)CC1CCN(C(=O)C2CC2N)CC1
InChIInChI=1S/C12H23N3O/c1-14(2)8-9-3-5-15(6-4-9)12(16)10-7-11(10)13/h9-11H,3-8,13H2,1-2H3
InChIKeyQXRJROBSSVFUCX-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-methylcyclohexyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62783060
2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 62782730
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2-aminocyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 82234715
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 103429730
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81172154

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 82237534) is (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CN(C)CC1CCN(C(=O)C2CC2N)CC1.
What is the InChIKey of (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is QXRJROBSSVFUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(2)8-9-3-5-15(6-4-9)12(16)10-7-11(10)13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 225.34 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopropyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 82237534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).