4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide

C14H28N4O — CID 63584815

IUPAC4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H28N4O/c15-16-14(19)4-3-9-17-10-5-13(6-11-17)12-18-7-1-2-8-18/h13H,1-12,15H2,(H,16,19)
InChIKeyQQJMJBQWDOGNNX-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.56
Rot. Bonds6

About 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide (PubChem CID 63584815) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide
PubChem CID63584815
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H28N4O/c15-16-14(19)4-3-9-17-10-5-13(6-11-17)12-18-7-1-2-8-18/h13H,1-12,15H2,(H,16,19)
InChIKeyQQJMJBQWDOGNNX-UHFFFAOYSA-N
XLogP0.56
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.56
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

4-(4-methylazepan-1-yl)butanehydrazide
CID 63627733
5-(4-ethylpiperidin-1-yl)pentanehydrazide
CID 63578403
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
5-(4-hydroxypiperidin-1-yl)pentanehydrazide
CID 63571141
4-(3-hydroxypiperidin-1-yl)butanehydrazide
CID 63585558
5-[4-(dimethylamino)piperidin-1-yl]pentanehydrazide
CID 55213443
3-(4-aminopiperidin-1-yl)propanehydrazide
CID 63577535
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanehydrazide
CID 114801983
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443
5-(3-hydroxypyrrolidin-1-yl)pentanehydrazide
CID 63572255
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide (CID 63584815) is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide is NNC(=O)CCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide?
The InChIKey is QQJMJBQWDOGNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c15-16-14(19)4-3-9-17-10-5-13(6-11-17)12-18-7-1-2-8-18/h13H,1-12,15H2,(H,16,19).
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide?
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide has a molecular weight of 268.40 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanehydrazide is sourced from PubChem (CID 63584815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).