3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol

C19H28N4O — CID 111381422

IUPAC3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
SMILESCN(CCCO)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H28N4O/c1-21(10-5-13-24)18-8-11-22(12-9-18)15-17-14-20-23(16-17)19-6-3-2-4-7-19/h2-4,6-7,14,16,18,24H,5,8-13,15H2,1H3
InChIKeyUAIDIKAYIBQGGS-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.15
Rot. Bonds7

About 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol

3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol (PubChem CID 111381422) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
PubChem CID111381422
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
SMILESCN(CCCO)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H28N4O/c1-21(10-5-13-24)18-8-11-22(12-9-18)15-17-14-20-23(16-17)19-6-3-2-4-7-19/h2-4,6-7,14,16,18,24H,5,8-13,15H2,1H3
InChIKeyUAIDIKAYIBQGGS-UHFFFAOYSA-N
XLogP2.15
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320
(4-fluorophenyl)-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 110170343
[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788095
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302
[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97124598
(4S,5S)-9-[(1-phenylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 164698709
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
CID 126605115

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol (CID 111381422) is 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol is CN(CCCO)C1CCN(Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
The InChIKey is UAIDIKAYIBQGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-21(10-5-13-24)18-8-11-22(12-9-18)15-17-14-20-23(16-17)19-6-3-2-4-7-19/h2-4,6-7,14,16,18,24H,5,8-13,15H2,1H3.
What are the key properties of 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol?
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 111381422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).