ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine

C19H37N — CID 142264899

IUPACethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine
SMILESC/C=C\C(=C/CC)CN1CCC(C)(C(C)C)CC1.CC
InChIInChI=1S/C17H31N.C2H6/c1-6-8-16(9-7-2)14-18-12-10-17(5,11-13-18)15(3)4;1-2/h6,8-9,15H,7,10-14H2,1-5H3;1-2H3/b8-6-,16-9+;
InChIKeyOYIVKFASAYFQRV-XGVFMHGISA-N
MW279.51 g/mol
LogP5.68
Rot. Bonds5

About ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine

ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine (PubChem CID 142264899) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine.

Molecular Properties

Compound Nameethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine
PubChem CID142264899
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Nameethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine
SMILESC/C=C\C(=C/CC)CN1CCC(C)(C(C)C)CC1.CC
InChIInChI=1S/C17H31N.C2H6/c1-6-8-16(9-7-2)14-18-12-10-17(5,11-13-18)15(3)4;1-2/h6,8-9,15H,7,10-14H2,1-5H3;1-2H3/b8-6-,16-9+;
InChIKeyOYIVKFASAYFQRV-XGVFMHGISA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.68
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

1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
(2S)-N,3-dimethyl-N-[2-[7-[(2Z)-4-methylpenta-2,4-dienyl]-7-azaspiro[3.5]nonan-2-yl]ethyl]-2-(trifluoromethyl)butan-1-amine
CID 166750649
1-[(4Z,6E)-9-tert-butyl-4-[(Z)-1,2-difluoroethenyl]-10,12-dimethyl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine
CID 166907449
4-[3-(4-Fluorocyclohexa-1,5-dien-1-yl)-2,3-dimethylbutan-2-yl]-1-methylpiperidine
CID 169637028
2-Methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
CID 10725931
1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine
CID 143280243
Lithium 1-[(3-tert-butylbenzene-2-id-1-yl)methyl]piperidine
CID 57532331
Lithium 1-[(3-tert-butylbenzene-6-id-1-yl)methyl]piperidine
CID 57532448
1-[(3,4-Dimethylcyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 58801218
2,6-dimethyl-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 59639376
2,2,6-trimethyl-3,4,4a,8a-tetrahydro-1H-isoquinolin-2-ium
CID 60053898
1-[(2E,6E)-9,9,11,11-tetramethyldodeca-2,6-dienyl]piperidine
CID 69050179

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine?
The IUPAC name of ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine (CID 142264899) is ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine.
What is the SMILES notation for ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine?
The canonical SMILES for ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine is C/C=C\C(=C/CC)CN1CCC(C)(C(C)C)CC1.CC.
What is the InChIKey of ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine?
The InChIKey is OYIVKFASAYFQRV-XGVFMHGISA-N. The full InChI is InChI=1S/C17H31N.C2H6/c1-6-8-16(9-7-2)14-18-12-10-17(5,11-13-18)15(3)4;1-2/h6,8-9,15H,7,10-14H2,1-5H3;1-2H3/b8-6-,16-9+;.
What are the key properties of ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine?
ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine has a molecular weight of 279.51 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-4-propan-2-yl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidine is sourced from PubChem (CID 142264899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).