1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine

C20H31NO2 — CID 2430929

IUPAC1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine
SMILESC/C=C/c1ccc(OCCCCN2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C20H31NO2/c1-4-7-18-8-9-19(20(16-18)22-3)23-15-6-5-12-21-13-10-17(2)11-14-21/h4,7-9,16-17H,5-6,10-15H2,1-3H3/b7-4+
InChIKeyXNBNJFWYXXSJGT-QPJJXVBHSA-N
MW317.47 g/mol
LogP4.62
Rot. Bonds8

About 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine

1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine (PubChem CID 2430929) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine
PubChem CID2430929
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine
SMILESC/C=C/c1ccc(OCCCCN2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C20H31NO2/c1-4-7-18-8-9-19(20(16-18)22-3)23-15-6-5-12-21-13-10-17(2)11-14-21/h4,7-9,16-17H,5-6,10-15H2,1-3H3/b7-4+
InChIKeyXNBNJFWYXXSJGT-QPJJXVBHSA-N
XLogP4.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cutamesine
CID 9907323
N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
CID 9841596
Terikalant
CID 65941
4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CID 9952420
Guaiapate
CID 70066
1,3-Pentadiene, 1-(3,4-methylenedioxybenzyl)-5-(piperidine-1-yl)-
CID 5370189
Diphenethylamine, N-methyl-3,3',4,4'-tetramethoxy-, monohydrochloride
CID 6917841
N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
CID 5714
Cutamesine C-11
CID 9820591
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
4-[(3,4-Dimethoxyphenyl)methyl]morpholine
CID 782582
3-[4-methoxy-3-(2-phenylethoxy)phenyl]-N,N-dipropylpropan-1-amine;hydrochloride
CID 18986839

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine?
The IUPAC name of 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine (CID 2430929) is 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine is C/C=C/c1ccc(OCCCCN2CCC(C)CC2)c(OC)c1.
What is the InChIKey of 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine?
The InChIKey is XNBNJFWYXXSJGT-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-7-18-8-9-19(20(16-18)22-3)23-15-6-5-12-21-13-10-17(2)11-14-21/h4,7-9,16-17H,5-6,10-15H2,1-3H3/b7-4+.
What are the key properties of 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine?
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine has a molecular weight of 317.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-4-methylpiperidine is sourced from PubChem (CID 2430929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).