N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine

C16H30N4 — CID 62592588

IUPACN-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(CN2CCC(CNCC(C)C)CC2)cn1
InChIInChI=1S/C16H30N4/c1-4-20-13-16(11-18-20)12-19-7-5-15(6-8-19)10-17-9-14(2)3/h11,13-15,17H,4-10,12H2,1-3H3
InChIKeyOENVSDIDSPWCST-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.36
Rot. Bonds7

About N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62592588) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62592588
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(CN2CCC(CNCC(C)C)CC2)cn1
InChIInChI=1S/C16H30N4/c1-4-20-13-16(11-18-20)12-19-7-5-15(6-8-19)10-17-9-14(2)3/h11,13-15,17H,4-10,12H2,1-3H3
InChIKeyOENVSDIDSPWCST-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 62592588) is N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine is CCn1cc(CN2CCC(CNCC(C)C)CC2)cn1.
What is the InChIKey of N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OENVSDIDSPWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-20-13-16(11-18-20)12-19-7-5-15(6-8-19)10-17-9-14(2)3/h11,13-15,17H,4-10,12H2,1-3H3.
What are the key properties of N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62592588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).