N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine

C13H24N4 — CID 82867061

IUPACN-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1ccn(C)n1
InChIInChI=1S/C13H24N4/c1-3-14-10-13-6-4-5-8-17(13)11-12-7-9-16(2)15-12/h7,9,13-14H,3-6,8,10-11H2,1-2H3
InChIKeyAXKOPMACFAWZQW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds5

About N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine

N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 82867061) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
PubChem CID82867061
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1ccn(C)n1
InChIInChI=1S/C13H24N4/c1-3-14-10-13-6-4-5-8-17(13)11-12-7-9-16(2)15-12/h7,9,13-14H,3-6,8,10-11H2,1-2H3
InChIKeyAXKOPMACFAWZQW-UHFFFAOYSA-N
XLogP1.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 64784941
2-(bromomethyl)-1-[(1-methylpyrazol-3-yl)methyl]azepane
CID 116638341
N-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62580932
N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 107043580
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[1-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 82865657
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 64785329
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 64784361
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine (CID 82867061) is N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1Cc1ccn(C)n1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is AXKOPMACFAWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-14-10-13-6-4-5-8-17(13)11-12-7-9-16(2)15-12/h7,9,13-14H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 82867061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).