1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane

C15H29N — CID 142206747

IUPAC1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane
SMILESC=C(C)/C=C\C(C)N1CCCCC1.CCC
InChIInChI=1S/C12H21N.C3H8/c1-11(2)7-8-12(3)13-9-5-4-6-10-13;1-3-2/h7-8,12H,1,4-6,9-10H2,2-3H3;3H2,1-2H3/b8-7-;
InChIKeyILHXHFXQHPDQTN-CFYXSCKTSA-N
MW223.40 g/mol
LogP4.41
Rot. Bonds3

About 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane

1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane (PubChem CID 142206747) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane.

Molecular Properties

Compound Name1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane
PubChem CID142206747
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane
SMILESC=C(C)/C=C\C(C)N1CCCCC1.CCC
InChIInChI=1S/C12H21N.C3H8/c1-11(2)7-8-12(3)13-9-5-4-6-10-13;1-3-2/h7-8,12H,1,4-6,9-10H2,2-3H3;3H2,1-2H3/b8-7-;
InChIKeyILHXHFXQHPDQTN-CFYXSCKTSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-5-(azetidin-1-yl)hex-3-en-2-one
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1-(4-methylpent-3-en-2-yl)piperidine
CID 134268073
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CID 11106169
(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
CID 143418446
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
(1S)-1-piperidin-1-ylethanol
CID 86312531
ethene;1-propan-2-ylpiperidine
CID 177325228

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane?
The IUPAC name of 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane (CID 142206747) is 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane.
What is the SMILES notation for 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane?
The canonical SMILES for 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane is C=C(C)/C=C\C(C)N1CCCCC1.CCC.
What is the InChIKey of 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane?
The InChIKey is ILHXHFXQHPDQTN-CFYXSCKTSA-N. The full InChI is InChI=1S/C12H21N.C3H8/c1-11(2)7-8-12(3)13-9-5-4-6-10-13;1-3-2/h7-8,12H,1,4-6,9-10H2,2-3H3;3H2,1-2H3/b8-7-;.
What are the key properties of 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane?
1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane has a molecular weight of 223.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane is sourced from PubChem (CID 142206747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).