1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride

C17H31ClN4 — CID 120849907

IUPAC1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride
SMILESCCCn1nccc1C1CCN(CC2CCCNC2)CC1.Cl
InChIInChI=1S/C17H30N4.ClH/c1-2-10-21-17(5-9-19-21)16-6-11-20(12-7-16)14-15-4-3-8-18-13-15;/h5,9,15-16,18H,2-4,6-8,10-14H2,1H3;1H
InChIKeyYOBWJPSHCKGTEQ-UHFFFAOYSA-N
MW326.92 g/mol
LogP2.89
Rot. Bonds5

About 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride

1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride (PubChem CID 120849907) has the molecular formula C17H31ClN4 and a molecular weight of 326.92 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride
PubChem CID120849907
Molecular FormulaC17H31ClN4
Molecular Weight326.92 g/mol
Exact Mass326.22
IUPAC Name1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride
SMILESCCCn1nccc1C1CCN(CC2CCCNC2)CC1.Cl
InChIInChI=1S/C17H30N4.ClH/c1-2-10-21-17(5-9-19-21)16-6-11-20(12-7-16)14-15-4-3-8-18-13-15;/h5,9,15-16,18H,2-4,6-8,10-14H2,1H3;1H
InChIKeyYOBWJPSHCKGTEQ-UHFFFAOYSA-N
XLogP2.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.92
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
CID 120849162
3-(2-methylpyrazol-3-yl)-8-(piperidin-3-ylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 120858421
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole
CID 84778729
1-propyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 114557866
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667
1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
CID 120850002
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120847679
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
CID 126453918

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride?
The IUPAC name of 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride (CID 120849907) is 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride is CCCn1nccc1C1CCN(CC2CCCNC2)CC1.Cl.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride?
The InChIKey is YOBWJPSHCKGTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4.ClH/c1-2-10-21-17(5-9-19-21)16-6-11-20(12-7-16)14-15-4-3-8-18-13-15;/h5,9,15-16,18H,2-4,6-8,10-14H2,1H3;1H.
What are the key properties of 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride?
1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride has a molecular weight of 326.92 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-4-(2-propylpyrazol-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 120849907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).