methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine

C19H32N2O2 — CID 172987127

IUPACmethane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
SMILESC.CC/C(=N/O)c1ccc(OCCCN2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O2.CH4/c1-3-18(19-21)16-8-10-17(11-9-16)22-14-6-13-20-12-5-4-7-15(20)2;/h8-11,15,21H,3-7,12-14H2,1-2H3;1H4/b19-18-;
InChIKeyMWUFDZFRMVTRPK-TVWXOORISA-N
MW320.48 g/mol
LogP4.55
Rot. Bonds7

About methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine

methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine (PubChem CID 172987127) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Namemethane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
PubChem CID172987127
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Namemethane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
SMILESC.CC/C(=N/O)c1ccc(OCCCN2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O2.CH4/c1-3-18(19-21)16-8-10-17(11-9-16)22-14-6-13-20-12-5-4-7-15(20)2;/h8-11,15,21H,3-7,12-14H2,1-2H3;1H4/b19-18-;
InChIKeyMWUFDZFRMVTRPK-TVWXOORISA-N
XLogP4.55
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine
CID 123212880
N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine
CID 61342447
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-oxobutanoate
CID 59651969
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
2-methyl-1-[3-(4-pent-4-enylphenoxy)propyl]piperidine
CID 11857790
(2S)-2-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxybutanamide
CID 100737614
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531

Frequently Asked Questions

What is the IUPAC name of methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine (CID 172987127) is methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine is C.CC/C(=N/O)c1ccc(OCCCN2CCCCC2C)cc1.
What is the InChIKey of methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is MWUFDZFRMVTRPK-TVWXOORISA-N. The full InChI is InChI=1S/C18H28N2O2.CH4/c1-3-18(19-21)16-8-10-17(11-9-16)22-14-6-13-20-12-5-4-7-15(20)2;/h8-11,15,21H,3-7,12-14H2,1-2H3;1H4/b19-18-;.
What are the key properties of methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine?
methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 320.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 172987127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).