2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride

C19H28Cl2N4O — CID 154919752

IUPAC2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCc2[nH]nc(-c3ccccc3)c2C1)C1CCNCC1
InChIInChI=1S/C19H26N4O.2ClH/c24-18(14-6-9-20-10-7-14)13-23-11-8-17-16(12-23)19(22-21-17)15-4-2-1-3-5-15;;/h1-5,14,18,20,24H,6-13H2,(H,21,22);2*1H
InChIKeyFTKLSWDAXOPXKY-UHFFFAOYSA-N
MW399.37 g/mol
LogP2.64
Rot. Bonds4

About 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride

2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride (PubChem CID 154919752) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride.

Molecular Properties

Compound Name2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride
PubChem CID154919752
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC Name2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride
SMILESCl.Cl.OC(CN1CCc2[nH]nc(-c3ccccc3)c2C1)C1CCNCC1
InChIInChI=1S/C19H26N4O.2ClH/c24-18(14-6-9-20-10-7-14)13-23-11-8-17-16(12-23)19(22-21-17)15-4-2-1-3-5-15;;/h1-5,14,18,20,24H,6-13H2,(H,21,22);2*1H
InChIKeyFTKLSWDAXOPXKY-UHFFFAOYSA-N
XLogP2.64
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride with MolForge

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Related Compounds

2-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-1-piperidin-4-ylethanol
CID 146043484
2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 56745125
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
azepan-4-yl-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571618
4-[2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]morpholine
CID 154568126
5-(1,4-dithiepan-6-yl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29029582
5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 42529918
6-[[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56749783
(2R)-2-cyclohexyl-2-hydroxy-1-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethanone
CID 154569708
3-(3-propan-2-yloxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538604
trans-(1S,3S)-3-[(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]cyclohexan-1-amine
CID 154569415
6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 155505818

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride?
The IUPAC name of 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride (CID 154919752) is 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride.
What is the SMILES notation for 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride?
The canonical SMILES for 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride is Cl.Cl.OC(CN1CCc2[nH]nc(-c3ccccc3)c2C1)C1CCNCC1.
What is the InChIKey of 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride?
The InChIKey is FTKLSWDAXOPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c24-18(14-6-9-20-10-7-14)13-23-11-8-17-16(12-23)19(22-21-17)15-4-2-1-3-5-15;;/h1-5,14,18,20,24H,6-13H2,(H,21,22);2*1H.
What are the key properties of 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride?
2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-piperidin-4-ylethanol;dihydrochloride is sourced from PubChem (CID 154919752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).