(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine

C13H21NO — CID 143093705

IUPAC(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine
SMILESC1=CCCC(OCC[C@@H]2CCCNC2)=C1
InChIInChI=1S/C13H21NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-2,6,12,14H,3-5,7-11H2/t12-/m0/s1
InChIKeyCNUZQGYYOOPXBH-LBPRGKRZSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds4

About (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine

(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine (PubChem CID 143093705) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine
PubChem CID143093705
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine
SMILESC1=CCCC(OCC[C@@H]2CCCNC2)=C1
InChIInChI=1S/C13H21NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-2,6,12,14H,3-5,7-11H2/t12-/m0/s1
InChIKeyCNUZQGYYOOPXBH-LBPRGKRZSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine
CID 102648248
3-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 102648250
3-[2,3-Dihydrofuran-5-yl(fluoro)methyl]piperidine
CID 102652373
4-[5-(Cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine
CID 56998454
4-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]oxypropyl]piperidine
CID 59943682
3,4,4a,5,5a,6-hexahydro-2H-benzo[g][1,4]benzoxazine
CID 67005346
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
4-[(4R)-4-propan-2-ylcyclohexen-1-yl]oxypiperidine
CID 68083152
2,3,4,10,10a,10b-hexahydro-1H-chromeno[3,4-b]pyridine
CID 69154227
4-(3-Hexa-2,4-dien-2-yloxypropyl)piperidine
CID 72602614
4-[[(1E,3Z)-1-(2-methylcyclobutyl)penta-1,3-dienoxy]methyl]piperidine
CID 89067072

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine?
The IUPAC name of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine (CID 143093705) is (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine.
What is the SMILES notation for (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine?
The canonical SMILES for (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine is C1=CCCC(OCC[C@@H]2CCCNC2)=C1.
What is the InChIKey of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine?
The InChIKey is CNUZQGYYOOPXBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-2,6,12,14H,3-5,7-11H2/t12-/m0/s1.
What are the key properties of (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine?
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine is sourced from PubChem (CID 143093705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).