N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide

C13H26N4O — CID 77041359

IUPACN'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CCCN2CCCC2)C1
InChIInChI=1S/C13H26N4O/c14-13(15-18)12-5-3-8-17(11-12)10-4-9-16-6-1-2-7-16/h12,18H,1-11H2,(H2,14,15)
InChIKeyDYJJBRQDZDSXJO-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.93
Rot. Bonds5

About N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide

N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide (PubChem CID 77041359) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
PubChem CID77041359
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CCCN2CCCC2)C1
InChIInChI=1S/C13H26N4O/c14-13(15-18)12-5-3-8-17(11-12)10-4-9-16-6-1-2-7-16/h12,18H,1-11H2,(H2,14,15)
InChIKeyDYJJBRQDZDSXJO-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
CID 77041248
1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide
CID 106725367
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
4-pyrrolidin-1-ylbutanethioamide
CID 18941013
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide (CID 77041359) is N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(CCCN2CCCC2)C1.
What is the InChIKey of N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide?
The InChIKey is DYJJBRQDZDSXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c14-13(15-18)12-5-3-8-17(11-12)10-4-9-16-6-1-2-7-16/h12,18H,1-11H2,(H2,14,15).
What are the key properties of N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).