2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine

C14H26N4 — CID 103572299

IUPAC2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCCn1cc(CN2CCC(CCN)CC2)cn1
InChIInChI=1S/C14H26N4/c1-2-7-18-12-14(10-16-18)11-17-8-4-13(3-6-15)5-9-17/h10,12-13H,2-9,11,15H2,1H3
InChIKeyQHCYJUMKSSHFNT-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.85
Rot. Bonds6

About 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine

2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 103572299) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID103572299
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCCn1cc(CN2CCC(CCN)CC2)cn1
InChIInChI=1S/C14H26N4/c1-2-7-18-12-14(10-16-18)11-17-8-4-13(3-6-15)5-9-17/h10,12-13H,2-9,11,15H2,1H3
InChIKeyQHCYJUMKSSHFNT-UHFFFAOYSA-N
XLogP1.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830712
2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 114556350
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
CID 163390202
1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 126787487
1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 75496981
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 115879784
5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
CID 110132857
7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
CID 110091301
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine (CID 103572299) is 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine is CCCn1cc(CN2CCC(CCN)CC2)cn1.
What is the InChIKey of 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is QHCYJUMKSSHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-7-18-12-14(10-16-18)11-17-8-4-13(3-6-15)5-9-17/h10,12-13H,2-9,11,15H2,1H3.
What are the key properties of 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 103572299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).