N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide

C14H28N4O — CID 61216300

IUPACN'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide
SMILESNC(CCCN1CCC(N2CCCCC2)CC1)=NO
InChIInChI=1S/C14H28N4O/c15-14(16-19)5-4-8-17-11-6-13(7-12-17)18-9-2-1-3-10-18/h13,19H,1-12H2,(H2,15,16)
InChIKeyHLAIKJJZFHFTPN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.46
Rot. Bonds5

About N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide

N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide (PubChem CID 61216300) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide
PubChem CID61216300
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide
SMILESNC(CCCN1CCC(N2CCCCC2)CC1)=NO
InChIInChI=1S/C14H28N4O/c15-14(16-19)5-4-8-17-11-6-13(7-12-17)18-9-2-1-3-10-18/h13,19H,1-12H2,(H2,15,16)
InChIKeyHLAIKJJZFHFTPN-UHFFFAOYSA-N
XLogP1.46
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.46
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

4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
CID 77024693
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
2-(4-cyclobutylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 121201830
N'-hydroxy-4-piperidin-1-ylpiperidine-1-carboximidamide
CID 76944257
N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
CID 63972125
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168
6-(4-piperidin-1-ylpiperidin-1-yl)hexan-3-ol
CID 106802309

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide (CID 61216300) is N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide is NC(CCCN1CCC(N2CCCCC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide?
The InChIKey is HLAIKJJZFHFTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c15-14(16-19)5-4-8-17-11-6-13(7-12-17)18-9-2-1-3-10-18/h13,19H,1-12H2,(H2,15,16).
What are the key properties of N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide?
N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide has a molecular weight of 268.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 61216300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).