3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride

C12H22ClN3O — CID 164576503

IUPAC3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
SMILESCCCn1cc(OCC2CCCNC2)cn1.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-2-6-15-9-12(8-14-15)16-10-11-4-3-5-13-7-11;/h8-9,11,13H,2-7,10H2,1H3;1H
InChIKeyLJICUWCPNRTAFL-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.09
Rot. Bonds5

About 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride

3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride (PubChem CID 164576503) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
PubChem CID164576503
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
SMILESCCCn1cc(OCC2CCCNC2)cn1.Cl
InChIInChI=1S/C12H21N3O.ClH/c1-2-6-15-9-12(8-14-15)16-10-11-4-3-5-13-7-11;/h8-9,11,13H,2-7,10H2,1H3;1H
InChIKeyLJICUWCPNRTAFL-UHFFFAOYSA-N
XLogP2.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
3-[[1-(difluoromethyl)pyrazol-4-yl]oxymethyl]piperidine
CID 167713436
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine
CID 110102127
2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine
CID 103573754
N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 103572294
4-propoxy-1-propylpyrazole
CID 116805185
4-[(1-methylpyrazol-4-yl)oxymethyl]piperidine
CID 114608454
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 95726413

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride?
The IUPAC name of 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride (CID 164576503) is 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride is CCCn1cc(OCC2CCCNC2)cn1.Cl.
What is the InChIKey of 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride?
The InChIKey is LJICUWCPNRTAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.ClH/c1-2-6-15-9-12(8-14-15)16-10-11-4-3-5-13-7-11;/h8-9,11,13H,2-7,10H2,1H3;1H.
What are the key properties of 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride?
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride is sourced from PubChem (CID 164576503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).