2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide

C16H26N4O — CID 105351724

IUPAC2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESCN(C)C1CCN(Cc2ccc(CC(=O)NN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-19(2)15-7-9-20(10-8-15)12-14-5-3-13(4-6-14)11-16(21)18-17/h3-6,15H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyLXTRWISEEQQOMP-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.75
Rot. Bonds5

About 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide

2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide (PubChem CID 105351724) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
PubChem CID105351724
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESCN(C)C1CCN(Cc2ccc(CC(=O)NN)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-19(2)15-7-9-20(10-8-15)12-14-5-3-13(4-6-14)11-16(21)18-17/h3-6,15H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyLXTRWISEEQQOMP-UHFFFAOYSA-N
XLogP0.75
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351597
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352065
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]acetohydrazide
CID 105352050
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
3-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 76908171
2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352123
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
CID 62433546
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172
5-[4-(dimethylamino)piperidin-1-yl]pentanehydrazide
CID 55213443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide (CID 105351724) is 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide is CN(C)C1CCN(Cc2ccc(CC(=O)NN)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The InChIKey is LXTRWISEEQQOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)15-7-9-20(10-8-15)12-14-5-3-13(4-6-14)11-16(21)18-17/h3-6,15H,7-12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide?
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide has a molecular weight of 290.41 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).