[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C11H18N4O — CID 103115889

IUPAC[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(CN)CC2)n1
InChIInChI=1S/C11H18N4O/c1-14-5-4-10(13-14)11(16)15-6-2-9(8-12)3-7-15/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyYRPLRRLJNSWQID-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.23
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 103115889) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID103115889
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(CN)CC2)n1
InChIInChI=1S/C11H18N4O/c1-14-5-4-10(13-14)11(16)15-6-2-9(8-12)3-7-15/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyYRPLRRLJNSWQID-UHFFFAOYSA-N
XLogP0.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95824418
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 103115889) is [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCC(CN)CC2)n1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is YRPLRRLJNSWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-5-4-10(13-14)11(16)15-6-2-9(8-12)3-7-15/h4-5,9H,2-3,6-8,12H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103115889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).