(NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine

C20H25N2O+ — CID 7420825

IUPAC(NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine
SMILESCC(C)[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-14(2)19-18(22-23)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21,23H,13H2,1-2H3/p+1/b22-18-/t17-,19+,20-/m0/s1
InChIKeyXLYIKINYBVURBX-OODXXXIZSA-O
MW309.43 g/mol
LogP3.54
Rot. Bonds3

About (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine

(NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine (PubChem CID 7420825) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine
PubChem CID7420825
Molecular FormulaC20H25N2O+
Molecular Weight309.43 g/mol
Exact Mass309.20
IUPAC Name(NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine
SMILESCC(C)[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-14(2)19-18(22-23)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21,23H,13H2,1-2H3/p+1/b22-18-/t17-,19+,20-/m0/s1
InChIKeyXLYIKINYBVURBX-OODXXXIZSA-O
XLogP3.54
TPSA49.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(2S,3S,6S)-3-methyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7124282
(NE)-N-[(2S,3R,6S)-3-methyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 6981835
N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 873157
(2S,3S,4R,6S)-2,6-diphenyl-3-propan-2-yl-4-propylpiperidin-1-ium-4-ol
CID 11876586
N-[(2R,3S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7124271
(NZ)-N-[(2S,3S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7329567
(2R,3S,5S)-2,3,5-triphenylpyrrolidin-1-ium
CID 7330151
(2R,3S,4R,6S)-2,6-diphenyl-4-(2-phenylethynyl)-3-propan-2-ylpiperidin-1-ium-4-ol
CID 7392919
(2S,3R,4R,6S)-4-benzyl-3-methyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7281626
(NE)-N-[(2R,3R,6S)-2,6-bis(furan-2-yl)-3-methylpiperidin-1-ium-4-ylidene]hydroxylamine
CID 7340420
(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
CID 11894630
(2R,3R,6S)-3-benzyl-2,6-diphenylpiperidin-1-ium-4-one
CID 7451823

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine (CID 7420825) is (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine is CC(C)[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1.
What is the InChIKey of (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine?
The InChIKey is XLYIKINYBVURBX-OODXXXIZSA-O. The full InChI is InChI=1S/C20H24N2O/c1-14(2)19-18(22-23)13-17(15-9-5-3-6-10-15)21-20(19)16-11-7-4-8-12-16/h3-12,14,17,19-21,23H,13H2,1-2H3/p+1/b22-18-/t17-,19+,20-/m0/s1.
What are the key properties of (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine?
(NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine has a molecular weight of 309.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2R,3S,6S)-2,6-diphenyl-3-propan-2-ylpiperidin-1-ium-4-ylidene]hydroxylamine is sourced from PubChem (CID 7420825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).