1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium

C15H24N3O3+ — CID 6332693

IUPAC1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium
SMILESO=[N+](O)O.[H]/N=C1/C(c2ccccc2)CCCN1CCCC
InChIInChI=1S/C15H22N2.H2NO3/c1-2-3-11-17-12-7-10-14(15(17)16)13-8-5-4-6-9-13;2-1(3)4/h4-6,8-9,14,16H,2-3,7,10-12H2,1H3;(H2,2,3,4)/q;+1/b16-15-;
InChIKeyCTXACKQALJBMFO-YFKNTREVSA-N
MW294.37 g/mol
LogP3.19
Rot. Bonds4

About 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium

1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium (PubChem CID 6332693) has the molecular formula C15H24N3O3+ and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium.

Molecular Properties

Compound Name1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium
PubChem CID6332693
Molecular FormulaC15H24N3O3+
Molecular Weight294.37 g/mol
Exact Mass294.18
IUPAC Name1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium
SMILESO=[N+](O)O.[H]/N=C1/C(c2ccccc2)CCCN1CCCC
InChIInChI=1S/C15H22N2.H2NO3/c1-2-3-11-17-12-7-10-14(15(17)16)13-8-5-4-6-9-13;2-1(3)4/h4-6,8-9,14,16H,2-3,7,10-12H2,1H3;(H2,2,3,4)/q;+1/b16-15-;
InChIKeyCTXACKQALJBMFO-YFKNTREVSA-N
XLogP3.19
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-phenylpyrrolidine-2,3-dione
CID 57099004
2-(2-oxo-3-phenylpiperidin-1-yl)acetic acid
CID 67358702
3-(3-hydroxyphenyl)-1-propylpiperidin-2-one
CID 13070741
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-butyl-2-phenylpiperidine
CID 10036306
(5E)-1-butyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid
CID 121437417
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
1-butyl-N-(2-phenylcyclopentyl)azepan-2-imine
CID 21395118
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
1-pentyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64883359

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium?
The IUPAC name of 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium (CID 6332693) is 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium.
What is the SMILES notation for 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium?
The canonical SMILES for 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium is O=[N+](O)O.[H]/N=C1/C(c2ccccc2)CCCN1CCCC.
What is the InChIKey of 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium?
The InChIKey is CTXACKQALJBMFO-YFKNTREVSA-N. The full InChI is InChI=1S/C15H22N2.H2NO3/c1-2-3-11-17-12-7-10-14(15(17)16)13-8-5-4-6-9-13;2-1(3)4/h4-6,8-9,14,16H,2-3,7,10-12H2,1H3;(H2,2,3,4)/q;+1/b16-15-;.
What are the key properties of 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium?
1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium has a molecular weight of 294.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-phenylpiperidin-2-imine;dihydroxy(oxo)azanium is sourced from PubChem (CID 6332693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).