4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine

C19H29NO2 — CID 123735494

IUPAC4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine
SMILESCOCC1(C2=CC=C(C=C3CCNCC3)CC2)CCOCC1
InChIInChI=1S/C19H29NO2/c1-21-15-19(8-12-22-13-9-19)18-4-2-16(3-5-18)14-17-6-10-20-11-7-17/h2,4,14,20H,3,5-13,15H2,1H3
InChIKeyHAZUCKYONADALA-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.39
Rot. Bonds4

About 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine

4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine (PubChem CID 123735494) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine.

Molecular Properties

Compound Name4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine
PubChem CID123735494
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine
SMILESCOCC1(C2=CC=C(C=C3CCNCC3)CC2)CCOCC1
InChIInChI=1S/C19H29NO2/c1-21-15-19(8-12-22-13-9-19)18-4-2-16(3-5-18)14-17-6-10-20-11-7-17/h2,4,14,20H,3,5-13,15H2,1H3
InChIKeyHAZUCKYONADALA-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
The IUPAC name of 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine (CID 123735494) is 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine.
What is the SMILES notation for 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
The canonical SMILES for 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine is COCC1(C2=CC=C(C=C3CCNCC3)CC2)CCOCC1.
What is the InChIKey of 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
The InChIKey is HAZUCKYONADALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-21-15-19(8-12-22-13-9-19)18-4-2-16(3-5-18)14-17-6-10-20-11-7-17/h2,4,14,20H,3,5-13,15H2,1H3.
What are the key properties of 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine?
4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine has a molecular weight of 303.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine is sourced from PubChem (CID 123735494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).