2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide

C14H21N3O2 — CID 105352065

IUPAC2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCC(CO)C2)cc1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)7-11-1-3-12(4-2-11)8-17-6-5-13(9-17)10-18/h1-4,13,18H,5-10,15H2,(H,16,19)
InChIKeyUKFZHJNAXQFIAC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.03
Rot. Bonds5

About 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide

2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide (PubChem CID 105352065) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide
PubChem CID105352065
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN2CCC(CO)C2)cc1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)7-11-1-3-12(4-2-11)8-17-6-5-13(9-17)10-18/h1-4,13,18H,5-10,15H2,(H,16,19)
InChIKeyUKFZHJNAXQFIAC-UHFFFAOYSA-N
XLogP0.03
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.03
H-Bond Donors ≤ 53
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-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]acetohydrazide
CID 105352050
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
CID 112629319
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 105352027
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide (CID 105352065) is 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CN2CCC(CO)C2)cc1.
What is the InChIKey of 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide?
The InChIKey is UKFZHJNAXQFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-16-14(19)7-11-1-3-12(4-2-11)8-17-6-5-13(9-17)10-18/h1-4,13,18H,5-10,15H2,(H,16,19).
What are the key properties of 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide?
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide has a molecular weight of 263.34 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).