[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine

C12H22N4 — CID 163390202

IUPAC[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
SMILESCN1CCC(CCn2cc(CN)cn2)CC1
InChIInChI=1S/C12H22N4/c1-15-5-2-11(3-6-15)4-7-16-10-12(8-13)9-14-16/h9-11H,2-8,13H2,1H3
InChIKeySIFOTGKYPXNSQB-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.07
Rot. Bonds4

About [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine

[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine (PubChem CID 163390202) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
PubChem CID163390202
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
SMILESCN1CCC(CCn2cc(CN)cn2)CC1
InChIInChI=1S/C12H22N4/c1-15-5-2-11(3-6-15)4-7-16-10-12(8-13)9-14-16/h9-11H,2-8,13H2,1H3
InChIKeySIFOTGKYPXNSQB-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine (CID 163390202) is [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine is CN1CCC(CCn2cc(CN)cn2)CC1.
What is the InChIKey of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine?
The InChIKey is SIFOTGKYPXNSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-5-2-11(3-6-15)4-7-16-10-12(8-13)9-14-16/h9-11H,2-8,13H2,1H3.
What are the key properties of [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine?
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 163390202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).