(3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine

C11H17N — CID 89304043

IUPAC(3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine
SMILESC=C/C=C(C)\C=C1\CCCNC1
InChIInChI=1S/C11H17N/c1-3-5-10(2)8-11-6-4-7-12-9-11/h3,5,8,12H,1,4,6-7,9H2,2H3/b10-5-,11-8-
InChIKeyICXBLLCTKIKHAW-ZCBRBLLVSA-N
MW163.26 g/mol
LogP2.43
Rot. Bonds2

About (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine

(3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine (PubChem CID 89304043) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine.

Molecular Properties

Compound Name(3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine
PubChem CID89304043
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine
SMILESC=C/C=C(C)\C=C1\CCCNC1
InChIInChI=1S/C11H17N/c1-3-5-10(2)8-11-6-4-7-12-9-11/h3,5,8,12H,1,4,6-7,9H2,2H3/b10-5-,11-8-
InChIKeyICXBLLCTKIKHAW-ZCBRBLLVSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine;trihydrochloride
CID 45265695
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
3-(Propan-2-ylidene)piperidine
CID 56972724
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
2,3,4,5-tetrahydro-1H-isoindole
CID 17907442
1,2,3,4,5,6-Hexahydroisoquinoline
CID 22152420
Hexahydroisoquinoline
CID 54394851
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine?
The IUPAC name of (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine (CID 89304043) is (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine.
What is the SMILES notation for (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine?
The canonical SMILES for (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine is C=C/C=C(C)\C=C1\CCCNC1.
What is the InChIKey of (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine?
The InChIKey is ICXBLLCTKIKHAW-ZCBRBLLVSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-10(2)8-11-6-4-7-12-9-11/h3,5,8,12H,1,4,6-7,9H2,2H3/b10-5-,11-8-.
What are the key properties of (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine?
(3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine has a molecular weight of 163.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2Z)-2-methylpenta-2,4-dienylidene]piperidine is sourced from PubChem (CID 89304043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).