(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

C19H28N4O — CID 95274104

IUPAC(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CNCc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-15(24)14-23-9-7-16(8-10-23)11-20-12-18-13-21-22-19(18)17-5-3-2-4-6-17/h2-6,13,15-16,20,24H,7-12,14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyJGDGFMZWOBRVIQ-HNNXBMFYSA-N
MW328.46 g/mol
LogP2.26
Rot. Bonds7

About (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95274104) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95274104
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CNCc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C19H28N4O/c1-15(24)14-23-9-7-16(8-10-23)11-20-12-18-13-21-22-19(18)17-5-3-2-4-6-17/h2-6,13,15-16,20,24H,7-12,14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyJGDGFMZWOBRVIQ-HNNXBMFYSA-N
XLogP2.26
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95272346
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 94140110
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335410
(2R)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335411
2-(4-methylpiperidin-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 119126724
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94194229
(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95290386
1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 95329776
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 56814521

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95274104) is (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is C[C@H](O)CN1CCC(CNCc2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is JGDGFMZWOBRVIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(24)14-23-9-7-16(8-10-23)11-20-12-18-13-21-22-19(18)17-5-3-2-4-6-17/h2-6,13,15-16,20,24H,7-12,14H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95274104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).