1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine

C19H31N3 — CID 142300501

IUPAC1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESC=CN1C(C(C)N2CCC(N(C)C)CC2)=C(C)C=C/C1=C/C
InChIInChI=1S/C19H31N3/c1-7-17-10-9-15(3)19(22(17)8-2)16(4)21-13-11-18(12-14-21)20(5)6/h7-10,16,18H,2,11-14H2,1,3-6H3/b17-7-
InChIKeyBTKQLQAYDSMOSU-IDUWFGFVSA-N
MW301.48 g/mol
LogP3.59
Rot. Bonds4

About 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine

1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 142300501) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID142300501
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine
SMILESC=CN1C(C(C)N2CCC(N(C)C)CC2)=C(C)C=C/C1=C/C
InChIInChI=1S/C19H31N3/c1-7-17-10-9-15(3)19(22(17)8-2)16(4)21-13-11-18(12-14-21)20(5)6/h7-10,16,18H,2,11-14H2,1,3-6H3/b17-7-
InChIKeyBTKQLQAYDSMOSU-IDUWFGFVSA-N
XLogP3.59
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 142300725
1-[(3E,5Z)-7-fluoro-3-(fluoromethyl)-5-methylhepta-1,3,5-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 146247180
1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 167025554
1-[1-[(3Z,5E)-5,7-difluoro-2-methylocta-3,5,7-trienyl]piperidin-4-yl]-4-[(3Z,5E)-3-methyl-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]piperazine
CID 143279917
(1S,2S)-3-ethyl-8-methyl-6-propyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 18597958
(1S,2S)-6-ethyl-8-methyl-3-propan-2-yl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 18597963
1,7-Ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine
CID 20773083
(1S,2R)-3,6-diethyl-8-methyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828626
(1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828633
(1S,2S)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828634
(1S,2S)-3,6-diethyl-8-methyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828635
Lithium 1-(3-methylbenzene-2-id-1-yl)piperidine
CID 57533291

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine (CID 142300501) is 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine is C=CN1C(C(C)N2CCC(N(C)C)CC2)=C(C)C=C/C1=C/C.
What is the InChIKey of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is BTKQLQAYDSMOSU-IDUWFGFVSA-N. The full InChI is InChI=1S/C19H31N3/c1-7-17-10-9-15(3)19(22(17)8-2)16(4)21-13-11-18(12-14-21)20(5)6/h7-10,16,18H,2,11-14H2,1,3-6H3/b17-7-.
What are the key properties of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine?
1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 301.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 142300501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).