1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine

C16H31N3 — CID 121277356

IUPAC1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine
SMILESC=C(CC1CCN(C(C)C)CC1)N1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-7-5-16(6-8-18)13-15(3)19-11-9-17(4)10-12-19/h14,16H,3,5-13H2,1-2,4H3
InChIKeyPZOXVHWTVXNUEO-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.26
Rot. Bonds4

About 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine

1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine (PubChem CID 121277356) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine
PubChem CID121277356
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine
SMILESC=C(CC1CCN(C(C)C)CC1)N1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-14(2)18-7-5-16(6-8-18)13-15(3)19-11-9-17(4)10-12-19/h14,16H,3,5-13H2,1-2,4H3
InChIKeyPZOXVHWTVXNUEO-UHFFFAOYSA-N
XLogP2.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-1-[1-(1-propan-2-ylpiperidin-4-yl)ethenyl]piperidine
CID 170195625
1-[(1,4-Dimethylpiperidin-4-yl)methyl]-2,5-dimethyl-3,6-dimethylidenepiperidine
CID 59948066
1-(4-Methylpent-1-en-2-yl)-4-propan-2-ylpiperazine
CID 68267217
(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine
CID 70301731
1-(5-Methylhex-1-en-2-yl)-4-propan-2-ylpiperazine
CID 89459515
1-Methyl-4-(1-piperidin-1-ylethenyl)piperidine
CID 126735825
1-Tert-butyl-4-(1-piperidin-1-ylethenyl)piperidine
CID 129255741
N,N-dimethyl-1-[1-(1-methylpiperidin-4-yl)ethenyl]pyrrolidin-3-amine
CID 134321940
1-(1-Cyclohexylethenyl)-4-methylpiperazine
CID 138495126
N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane
CID 142372783
Ethane;1-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]-4-prop-1-en-2-ylpiperidine
CID 142372787
N,N-dimethyl-3-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]prop-1-en-2-amine
CID 142390657

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine (CID 121277356) is 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine is C=C(CC1CCN(C(C)C)CC1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine?
The InChIKey is PZOXVHWTVXNUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)18-7-5-16(6-8-18)13-15(3)19-11-9-17(4)10-12-19/h14,16H,3,5-13H2,1-2,4H3.
What are the key properties of 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine?
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine is sourced from PubChem (CID 121277356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).