[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

C16H24N4O — CID 107355664

IUPAC[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C16H24N4O/c1-16(2)9-13(16)15(21)20-7-5-19(6-8-20)14-4-3-12(10-17)11-18-14/h3-4,11,13H,5-10,17H2,1-2H3
InChIKeyBYEWPGZAKRTVAZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.24
Rot. Bonds3

About [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone

[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107355664) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID107355664
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C16H24N4O/c1-16(2)9-13(16)15(21)20-7-5-19(6-8-20)14-4-3-12(10-17)11-18-14/h3-4,11,13H,5-10,17H2,1-2H3
InChIKeyBYEWPGZAKRTVAZ-UHFFFAOYSA-N
XLogP1.24
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
CID 107355681
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000236
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride
CID 69277737
4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 107355689

Frequently Asked Questions

What is the IUPAC name of [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone (CID 107355664) is [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is BYEWPGZAKRTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2)9-13(16)15(21)20-7-5-19(6-8-20)14-4-3-12(10-17)11-18-14/h3-4,11,13H,5-10,17H2,1-2H3.
What are the key properties of [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone?
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107355664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).