N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine

C20H26N3O3- — CID 163152900

IUPACN-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine
SMILES[O-]N(O)c1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C20H26N3O3/c24-23(25)18-8-5-9-19(15-18)26-14-4-3-13-22-12-2-1-10-20(22)17-7-6-11-21-16-17/h5-9,11,15-16,20,24H,1-4,10,12-14H2/q-1/t20-/m0/s1
InChIKeyVYJNGHMRZHZKGT-FQEVSTJZSA-N
MW356.45 g/mol
LogP4.16
Rot. Bonds8

About N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine

N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine (PubChem CID 163152900) has the molecular formula C20H26N3O3- and a molecular weight of 356.45 g/mol. Its IUPAC name is N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine
PubChem CID163152900
Molecular FormulaC20H26N3O3-
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine
SMILES[O-]N(O)c1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C20H26N3O3/c24-23(25)18-8-5-9-19(15-18)26-14-4-3-13-22-12-2-1-10-20(22)17-7-6-11-21-16-17/h5-9,11,15-16,20,24H,1-4,10,12-14H2/q-1/t20-/m0/s1
InChIKeyVYJNGHMRZHZKGT-FQEVSTJZSA-N
XLogP4.16
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-1-[4-(3-nitrophenoxy)butyl]piperidin-2-yl]pyridine
CID 40637291
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351
3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine
CID 40805651
3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine
CID 40807655
N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
CID 95121735
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-methyl-N-[2-[4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenoxy]ethyl]thiophene-2-carboxamide
CID 45223456
1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone;oxalic acid
CID 44667951
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 26414987

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine?
The IUPAC name of N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine (CID 163152900) is N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine.
What is the SMILES notation for N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine?
The canonical SMILES for N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine is [O-]N(O)c1cccc(OCCCCN2CCCC[C@H]2c2cccnc2)c1.
What is the InChIKey of N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine?
The InChIKey is VYJNGHMRZHZKGT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N3O3/c24-23(25)18-8-5-9-19(15-18)26-14-4-3-13-22-12-2-1-10-20(22)17-7-6-11-21-16-17/h5-9,11,15-16,20,24H,1-4,10,12-14H2/q-1/t20-/m0/s1.
What are the key properties of N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine?
N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine has a molecular weight of 356.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine is sourced from PubChem (CID 163152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).