4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine

C15H25NO — CID 173196032

IUPAC4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine
SMILESCOCCC(C1=CCCC=C1)C1CCNCC1
InChIInChI=1S/C15H25NO/c1-17-12-9-15(13-5-3-2-4-6-13)14-7-10-16-11-8-14/h3,5-6,14-16H,2,4,7-12H2,1H3
InChIKeyWSWDPCRQLWHUCA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds5

About 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine

4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine (PubChem CID 173196032) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine.

Molecular Properties

Compound Name4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine
PubChem CID173196032
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine
SMILESCOCCC(C1=CCCC=C1)C1CCNCC1
InChIInChI=1S/C15H25NO/c1-17-12-9-15(13-5-3-2-4-6-13)14-7-10-16-11-8-14/h3,5-6,14-16H,2,4,7-12H2,1H3
InChIKeyWSWDPCRQLWHUCA-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,4Z)-4-ethylidene-3-[(2-methoxy-4-methylcyclobutyl)methylidene]piperidine
CID 88270180
3-ethyl-2-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972892
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidine
CID 117757141
1-[Cyclohex-3-en-1-yl(methoxy)methyl]piperazine
CID 135135364
4-[3-(4-Methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
CID 139632101
2-[(3-Methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
CID 141300454
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
CID 143093704
spiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 143635779
4-(1-Cyclohexa-1,5-dien-1-ylethyl)piperidine
CID 144285033
4-(Cyclohexa-1,5-dien-1-ylmethyl)-4-(methoxymethyl)piperidine
CID 145601329
2-Octa-5,7-dien-2-ylmorpholine
CID 173438470
N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62386045

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine?
The IUPAC name of 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine (CID 173196032) is 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine.
What is the SMILES notation for 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine?
The canonical SMILES for 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine is COCCC(C1=CCCC=C1)C1CCNCC1.
What is the InChIKey of 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine?
The InChIKey is WSWDPCRQLWHUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-17-12-9-15(13-5-3-2-4-6-13)14-7-10-16-11-8-14/h3,5-6,14-16H,2,4,7-12H2,1H3.
What are the key properties of 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine?
4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine has a molecular weight of 235.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexa-1,5-dien-1-yl-3-methoxypropyl)piperidine is sourced from PubChem (CID 173196032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).