N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide

C16H25N3O — CID 114333754

IUPACN'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
SMILESN/C(=N/O)C1CCCN(CCCCc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c17-16(18-20)15-10-6-12-19(13-15)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,15,20H,4-6,9-13H2,(H2,17,18)
InChIKeyBXNMRDACWRLATF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.47
Rot. Bonds6

About N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide

N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide (PubChem CID 114333754) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
PubChem CID114333754
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
SMILESN/C(=N/O)C1CCCN(CCCCc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c17-16(18-20)15-10-6-12-19(13-15)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,15,20H,4-6,9-13H2,(H2,17,18)
InChIKeyBXNMRDACWRLATF-UHFFFAOYSA-N
XLogP2.47
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
CID 77041359
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
CID 79681239
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide (CID 114333754) is N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide is N/C(=N/O)C1CCCN(CCCCc2ccccc2)C1.
What is the InChIKey of N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide?
The InChIKey is BXNMRDACWRLATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(18-20)15-10-6-12-19(13-15)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,15,20H,4-6,9-13H2,(H2,17,18).
What are the key properties of N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide is sourced from PubChem (CID 114333754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).