N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine

C20H30N4 — CID 120842600

IUPACN-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccc(C)cc2-c2ccnn2C)CC1
InChIInChI=1S/C20H30N4/c1-4-21-14-17-8-11-24(12-9-17)15-18-6-5-16(2)13-19(18)20-7-10-22-23(20)3/h5-7,10,13,17,21H,4,8-9,11-12,14-15H2,1-3H3
InChIKeyYNDMQKDLIPSPDR-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.22
Rot. Bonds6

About N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 120842600) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
PubChem CID120842600
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(Cc2ccc(C)cc2-c2ccnn2C)CC1
InChIInChI=1S/C20H30N4/c1-4-21-14-17-8-11-24(12-9-17)15-18-6-5-16(2)13-19(18)20-7-10-22-23(20)3/h5-7,10,13,17,21H,4,8-9,11-12,14-15H2,1-3H3
InChIKeyYNDMQKDLIPSPDR-UHFFFAOYSA-N
XLogP3.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine
CID 120834498
1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843400
N-methyl-1-[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120835768
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
(3S,4R)-1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846814
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 104710312
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842604
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine (CID 120842600) is N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(Cc2ccc(C)cc2-c2ccnn2C)CC1.
What is the InChIKey of N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is YNDMQKDLIPSPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-4-21-14-17-8-11-24(12-9-17)15-18-6-5-16(2)13-19(18)20-7-10-22-23(20)3/h5-7,10,13,17,21H,4,8-9,11-12,14-15H2,1-3H3.
What are the key properties of N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 326.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 120842600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).